小分子和化合物库

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显示第112个,产品总数250

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  1. 喹夫拉朋
      规格或纯度 :
    • ≥98%
    CAS号 : 136668-42-3        Compound CID : 60923
    分子式: C34H35ClN2O3S        分子量: 587.17
    IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
    SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O
    InChIKey: NZOONKHCNQFYCI-UHFFFAOYSA-N
    InChI: InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
  2. 尼群地平
    CAS号 : 39562-70-4        Compound CID : 4507
    分子式: C18H20N2O6        分子量: 360.36
    IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
    InChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-N
    InChI: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
  3. 水仙环素
      规格或纯度 :
    • ≥98%
    CAS号 : 29477-83-6        Compound CID : 72376
    分子式: C14H13NO7        分子量: 307.26
    IUPAC Name: (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
    SMILES: C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O
    InChIKey: LZAZURSABQIKGB-AEKGRLRDSA-N
    InChI: InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
  4. 4-(5-氨基-2-(吡啶-3-基)噻唑并[5,4-d]嘧啶-7-基)-Np-甲苯基哌嗪-1-甲酰胺
    CAS号 : 1245319-54-3        Compound CID : 46916382
    分子式: C22H22N8OS        分子量: 446.53
    IUPAC Name: 4-(5-amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
    SMILES: CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C(=NC(=N3)N)SC(=N4)C5=CN=CC=C5
    InChIKey: UWTRKIJAGTTXNM-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22N8OS/c1-14-4-6-16(7-5-14)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)32-19(26-17)15-3-2-8-24-13-15/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)
  5. 银锻苷
    CAS号 : 20316-62-5        Compound CID : 5320686
    分子式: C30H26O13        分子量: 594.52
    IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
    InChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-N
    InChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
  6. PF-4981517,CYP3A4抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1390637-82-7        Compound CID : 71315139
    分子式: C26H32N8        分子量: 456.59
    IUPAC Name: 1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidine
    SMILES: CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C
    InChIKey: WDWIMDKOXZZYHH-FQEVSTJZSA-N
    InChI: InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1
  7. 安瑞那韦
      规格或纯度 :
    • ≥97%
    CAS号 : 161814-49-9        Compound CID : 65016
    分子式: C25H35N3O6S        分子量: 505.63
    IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
    SMILES: CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
    InChIKey: YMARZQAQMVYCKC-OEMFJLHTSA-N
    InChI: InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
  8. 甘宝素
      规格或纯度 :
    • ≥98%
    CAS号 : 38083-17-9        Compound CID : 37907
    分子式: C15H17ClN2O2        分子量: 292.76
    IUPAC Name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
    SMILES: CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl
    InChIKey: OWEGWHBOCFMBLP-UHFFFAOYSA-N
    InChI: InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
  9. GMX1778,NF-κβ抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 200484-11-3        Compound CID : 148198
    分子式: C19H22ClN5O        分子量: 371.86
    IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
    SMILES: C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl
    InChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
  10. 2,3,4,5-四(4-吡啶基)噻吩(GANT58)
      规格或纯度 :
    • ≥98%
    CAS号 : 64048-12-0        Compound CID : 253078
    分子式: C24H16N4S        分子量: 392.48
    IUPAC Name: 4-(2,4,5-tripyridin-4-ylthiophen-3-yl)pyridine
    SMILES: C1=CN=CC=C1C2=C(SC(=C2C3=CC=NC=C3)C4=CC=NC=C4)C5=CC=NC=C5
    InChIKey: USWLOKMMUTWFMD-UHFFFAOYSA-N
    InChI: InChI=1S/C24H16N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h1-16H
  11. Monastrol,有丝分裂抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 329689-23-8        Compound CID : 2987927
    分子式: C14H16N2O3S2        分子量: 292.35
    IUPAC Name: ethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
    SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C
    InChIKey: LOBCDGHHHHGHFA-UHFFFAOYSA-N
    InChI: InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
  12. L-701,252,NMDA拮抗剂
      规格或纯度 :
    • ≥96%
    CAS号 : 151057-13-5        Compound CID : 54687453
    分子式: C13H10ClNO3        分子量: 263.68
    IUPAC Name: 7-chloro-3-(cyclopropanecarbonyl)-4-hydroxy-1H-quinolin-2-one
    SMILES: C1CC1C(=O)C2=C(C3=C(C=C(C=C3)Cl)NC2=O)O
    InChIKey: MXEFWCFPCLDOOG-UHFFFAOYSA-N
    InChI: InChI=1S/C13H10ClNO3/c14-7-3-4-8-9(5-7)15-13(18)10(12(8)17)11(16)6-1-2-6/h3-6H,1-2H2,(H2,15,17,18)
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