小分子和化合物库

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显示第112个,产品总数69

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  1. 4-羟基三苯氧胺
      规格或纯度 :
    • ≥98%
    • E:Z isomers=50:50
    CAS号 : 68392-35-8        Compound CID : 449459
    分子式: C26H29NO2        分子量: 387.51
    IUPAC Name: 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
    SMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N
    InChI: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
  2. 2-(2,6-二氧代 - 哌啶-3-基)-4-羟基 - 异吲哚-1,3-二酮
      规格或纯度 :
    • ≥95%
    CAS号 : 5054-59-1        Compound CID : 11778087
    分子式: C13H10N2O5        分子量: 274.23
    IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
    SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)O
    InChIKey: XMPJICVFSDYOEG-UHFFFAOYSA-N
    InChI: InChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
  3. Thalidomide-O-COOH
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1061605-21-7        Compound CID : 25015436
    分子式: C15H12N2O7        分子量: 332.26
    IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
    SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)O
    InChIKey: ZVWIXIGBWIEDFO-UHFFFAOYSA-N
    InChI: InChI=1S/C15H12N2O7/c18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
  4. DREADD 激动剂 21 二盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 2250025-92-2       
    分子式: C17H18N4·2HCl        分子量: 351.27
    IUPAC Name: 6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine;dihydrochloride
    SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42.Cl.Cl
    InChIKey: SETCOPAXYQJWKI-UHFFFAOYSA-N
    InChI: InChI=1S/C17H18N4.2ClH/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14;;/h1-8,18-19H,9-12H2;2*1H
  5. Apcin-A
      规格或纯度 :
    • ≥98%
    CAS号 : 1683617-62-0        Compound CID : 127243466
    分子式: C10H14Cl3N5O2        分子量: 342.61
    IUPAC Name: 3-aminopropyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
    SMILES: C1=CN=C(N=C1)NC(C(Cl)(Cl)Cl)NC(=O)OCCCN
    InChIKey: JQTSJVDIFMKETH-UHFFFAOYSA-N
    InChI: InChI=1S/C10H14Cl3N5O2/c11-10(12,13)7(17-8-15-4-2-5-16-8)18-9(19)20-6-1-3-14/h2,4-5,7H,1,3,6,14H2,(H,18,19)(H,15,16,17)
  6. MT-802
      规格或纯度 :
    • ≥95%
    CAS号 : 2231744-29-7        Compound CID : 138108326
    分子式: C41H41N9O8        分子量: 787.82
    IUPAC Name: 2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
    SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N
    InChIKey: AJTLGUJXIKEZCQ-UHFFFAOYSA-N
    InChI: InChI=1S/C41H41N9O8/c42-37-35-36(25-6-9-29(10-7-25)58-28-4-2-1-3-5-28)47-50(38(35)44-24-43-37)27-14-16-48(17-15-27)18-19-56-20-21-57-23-34(52)45-26-8-11-30-31(22-26)41(55)49(40(30)54)32-12-13-33(51)46-39(32)53/h1-11,22,24,27,32H,12-21,23H2,(H,45,52)(H2,42,43,44)(H,46,51,53)
  7. LC-2
      规格或纯度 :
    • ≥98%
    CAS号 : 2502156-03-6        Compound CID : 154727765
    分子式: C59H71ClFN11O7S        分子量: 1132.78
    IUPAC Name: (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
    SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCCN4CCCC4COC5=NC6=C(CCN(C6)C7=CC=CC8=C7C(=CC=C8)Cl)C(=N5)N9CCN(C(C9)CC#N)C(=O)C(=C)F)O
    InChIKey: ZCGQZLKPUVGCBQ-HLMPTVQRSA-N
    InChI: InChI=1S/C59H71ClFN11O7S/c1-37(61)56(76)71-27-26-70(32-42(71)19-22-62)54-45-20-25-69(48-14-7-11-40-10-6-13-46(60)51(40)48)34-47(45)65-58(67-54)79-35-43-12-8-23-68(43)24-9-28-78-29-21-50(74)66-53(59(3,4)5)57(77)72-33-44(73)30-49(72)55(75)63-31-39-15-17-41(18-16-39)52-38(2)64-36-80-52/h6-7,10-11,13-18,36,42-44,49,53,73H,1,8-9,12,19-21,23-35H2,2-5H3,(H,63,75)(H,66,74)/t42-,43-,44+,49-,53+/m0/s1
  8. PROTAC BRD4降解剂-5
    CAS号 : 2409538-70-9        Compound CID : 146673078
    分子式: C50H62ClN9O8S2        分子量: 1016.7
    IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
    SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NC(C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C
    InChIKey: SLPWRCRRHVRNRM-BEGQQDOQSA-N
    InChI: InChI=1S/C50H62ClN9O8S2/c1-28-31(4)70-49-42(28)43(34-13-15-36(51)16-14-34)55-38(46-58-57-32(5)60(46)49)24-40(62)52-17-18-66-19-20-67-21-22-68-26-41(63)56-45(50(6,7)8)48(65)59-25-37(61)23-39(59)47(64)54-29(2)33-9-11-35(12-10-33)44-30(3)53-27-69-44/h9-16,27,29,37-39,45,61H,17-26H2,1-8H3,(H,52,62)(H,54,64)(H,56,63)/t29-,37+,38-,39-,45+/m0/s1
  9. ARV-825
      规格或纯度 :
    • ≥97%
    CAS号 : 1818885-28-7        Compound CID : 92044400
    分子式: C46H47ClN8O9S        分子量: 923.43
    IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide
    SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8=CC=C(C=C8)Cl)C
    InChIKey: RWLOGRLTDKDANT-TYIYNAFKSA-N
    InChI: InChI=1S/C46H47ClN8O9S/c1-26-27(2)65-46-39(26)41(29-7-9-30(47)10-8-29)50-35(42-53-52-28(3)54(42)46)25-38(57)49-31-11-13-32(14-12-31)64-24-23-63-22-21-62-20-19-61-18-17-48-34-6-4-5-33-40(34)45(60)55(44(33)59)36-15-16-37(56)51-43(36)58/h4-14,35-36,48H,15-25H2,1-3H3,(H,49,57)(H,51,56,58)/t35-,36?/m0/s1
  10. A1874
      规格或纯度 :
    • ≥98%
    CAS号 : 2064292-12-0        Compound CID : 124201003
    分子式: C58H62Cl3F2N9O7S        分子量: 1173.59
    IUPAC Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
    SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCNC(=O)C4=CC(=C(C=C4)NC(=O)C5C(C(C(N5)CC(C)(C)C)(C#N)C6=C(C=C(C=C6)Cl)F)C7=C(C(=CC=C7)Cl)F)OC)C8=CC=C(C=C8)Cl)C
    InChIKey: IPNTVOAQOGRLQB-JJMBTQCASA-N
    InChI: InChI=1S/C58H62Cl3F2N9O7S/c1-32-33(2)80-56-48(32)51(35-11-14-37(59)15-12-35)67-44(53-71-70-34(3)72(53)56)29-47(73)65-19-21-77-23-25-79-26-24-78-22-20-66-54(74)36-13-18-43(45(27-36)76-7)68-55(75)52-49(39-9-8-10-41(61)50(39)63)58(31-64,46(69-52)30-57(4,5)6)40-17-16-38(60)28-42(40)62/h8-18,27-28,44,46,49,52,69H,19-26,29-30H2,1-7H3,(H,65,73)(H,66,74)(H,68,75)/t44-,46-,49-,52+,58-/m0/s1
  11. PROTAC SGK3降解剂-1
      规格或纯度 :
    • ≥98%
    CAS号 : 2381320-35-8        Compound CID : 139035049
    分子式: C57H73FN10O11S2        分子量: 1157.38
    IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[2-[2-[6-[(2R)-2-[[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxymethyl]morpholin-4-yl]hexoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
    SMILES: CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=N3)OCC5CN(CCO5)CCCCCCOCCOCCOCC(=O)NC(C(=O)N6CC(CC6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C
    InChIKey: RTFQFPZKDYMMMJ-RIAKQDHQSA-N
    InChI: InChI=1S/C57H73FN10O11S2/c1-37-10-19-46(58)48(28-37)81(73,74)66-42-17-15-41(16-18-42)52-63-53-45(31-61-65-53)55(64-52)79-34-44-33-67(21-23-78-44)20-8-6-7-9-22-75-24-25-76-26-27-77-35-49(70)62-51(57(3,4)5)56(72)68-32-43(69)29-47(68)54(71)59-30-39-11-13-40(14-12-39)50-38(2)60-36-80-50/h10-19,28,31,36,43-44,47,51,66,69H,6-9,20-27,29-30,32-35H2,1-5H3,(H,59,71)(H,62,70)(H,61,63,64,65)/t43-,44-,47+,51-/m1/s1
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