小分子和化合物库

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显示第3748个,产品总数213

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  1. UCL 1684,KCa2(SK)通道阻滞剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 199934-16-2        Compound CID : 9852584
    分子式: C34H30Br2N4        分子量: 654.44
    IUPAC Name: 17,24-diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaene;dibromide
    SMILES: C1C2=CC=C(CNC3=CC=[N+](CC4=CC=CC(=C4)C[N+]5=CC=C(N1)C6=CC=CC=C65)C7=CC=CC=C37)C=C2.[Br-].[Br-]
    InChIKey: KPNMQIKQVCWNTP-UHFFFAOYSA-N
    InChI: 1S/C34H28N4.2BrH/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31;;/h1-20H,21-24H2;2*1H
  2. TC OT 39,非肽催产素受体部分激动剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 479232-57-0        Compound CID : 135413563
    分子式: C32H40N8O2S        分子量: 600.78
    IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide
    SMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCCC5C(=S)N6CCCN(CC6)C
    InChIKey: KSNHHKZYKYNBEI-NDEPHWFRSA-N
    InChI: 1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21See more
  3. TC-MCH 7c,黑色素浓缩激素受体1(MCH1R)拮抗剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 864756-35-4        Compound CID : 11654412
    分子式: C24H25FN2O3        分子量: 408.47
    IUPAC Name: 4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
    SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F
    InChIKey: ANCFKYJMXNMYNZ-UHFFFAOYSA-N
    InChI: 1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
  4. SR 140333,NK1拮抗剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 153050-21-6        Compound CID : 108166
    分子式: C37H45Cl3N2O2        分子量: 656.12
    IUPAC Name: 1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chloride
    SMILES: CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]
    InChIKey: NQHFSECYQAQZBN-LSYPWIJNSA-M
    InChI: 1S/C37H45Cl2N2O2.ClH/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2See more
  5. SR 1664,PPARγ配体
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 1338259-05-4        Compound CID : 53239854
    分子式: C33H29N3O5        分子量: 547.6
    IUPAC Name: 2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
    SMILES: CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C
    InChIKey: IIJDFXNUWZTHIM-NRFANRHFSA-N
    InChI: 1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m0/s1
  6. SR 142948 水合物,NTS受体拮抗剂, NTS 1 受体拮抗剂
    CAS号: 184162-64-9
    分子式: C39H51N5O6·xH2O        分子量: 685.86(anhydrous)
    IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
    SMILES: CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC
    InChIKey: LWULHXVBLMWCHO-UHFFFAOYSA-N
    InChI: 1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14See more
  7. SB 290157 三氟乙酸盐
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 1140525-25-2        Compound CID : 16760645
    分子式: C24H29F3N4O6        分子量: 526.51
    IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid;2,2,2-trifluoroacetic acid
    SMILES: C1=CC=C(C=C1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O
    InChIKey: ZJRMPPVJAQWGEG-FYZYNONXSA-N
    InChI: 1S/C22H28N4O4.C2HF3O2/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17;3-2(4,5)1(6)7/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25);(H,6,7)/t19-;/m0.See more
  8. (R)-PFI 2 盐酸盐
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 1627607-87-7        Compound CID : 78243738
    分子式: C₂₃H₂₅F₄N₃O₃S•HCl        分子量: 535.98
    IUPAC Name: 8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride
    SMILES: C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl
    InChIKey: ZADKZNVAJGEFLC-ZMBIFBSDSA-N
    InChI: 1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m1./s1
  9. PSB 0777 铵盐
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 2122196-16-9        Compound CID : 90488932
    分子式: C18H20N5O7S2.NH4        分子量: 500.55
    IUPAC Name: 4-[2-[6-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]benzenesulfonic acid;azane
    SMILES: C1=CC(=CC=C1CCSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)S(=O)(=O)O.N
    InChIKey: AYQGFWKUGKSGCZ-VSAOVUCUSA-N
    InChI: 1S/C18H21N5O7S2.H3N/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29;/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29);1H3/t11-,13-,14+,17-;/See more
  10. PF-429242 二盐酸盐
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号: 2248666-66-0        Compound CID : 90488837
    分子式: C25H35N3O2.2HCl        分子量: 482.49
    IUPAC Name: 4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;dihydrochloride
    SMILES: CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3.Cl.Cl
    InChIKey: GSUZWFZKTIOWTI-MQWQBNKOSA-N
    InChI: 1S/C25H35N3O2.2ClH/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3;;/h6-13,23,26H,4-5,14-19H2,1-3H3;2*1H/t23-;;/m1../s1
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