小分子和化合物库

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显示第112个,产品总数167

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  1. Orteronel,抑制剂
      规格或纯度 :
    • ≥99%
    CAS号 : 566939-85-3        Compound CID : 9796590
    分子式: C18H17N3O2        分子量: 307.35
    IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
    SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
    InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N
    InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
  2. TAK-700 (Orteronel),抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 426219-18-3        Compound CID : 9883029
    分子式: C18H17N3O2        分子量: 307.35
    IUPAC Name: 6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide
    SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
    InChIKey: OZPFIJIOIVJZMN-UHFFFAOYSA-N
    InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)
  3. 16,17-alpha环氧孕烯醇酮
      规格或纯度 :
    • ≥97%
    CAS号 : 974-23-2       
    分子式: C21H30O3        分子量: 330.46
    IUPAC Name: 1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone
    SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
    InChIKey: UQVIXFCYKBWZPJ-XXHSLLPRSA-N
    InChI: InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
  4. 16,17-环氧黄体酮
      规格或纯度 :
    • ≥98%
    CAS号 : 1097-51-4       
    分子式: C21H28O3        分子量: 328.45
    IUPAC Name: (1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one
    SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C
    InChIKey: LHNVKVKZPHUYQO-SRWWVFQWSA-N
    InChI: InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
  5. TC-G 1004
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1061747-72-5        Compound CID : 25074316
    分子式: C22H27N7O2        分子量: 421.5
    IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
    SMILES: CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)C3=NC(=CC=C3)N4CCC(CC4)OC)C
    InChIKey: JENSDTKXNVHSSN-UHFFFAOYSA-N
    InChI: InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30)
  6. LUF 5834,腺苷A2A和A2B受体部分激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 333962-91-7        Compound CID : 135543624
    分子式: C17H12N6OS        分子量: 348.38
    IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
    SMILES: C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)O
    InChIKey: OFHKDLYFKPBXER-UHFFFAOYSA-N
    InChI: InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
  7. 7-氯-4-羟基-2-苯基-1,8-萘啶
    CAS号 : 286411-09-4        Compound CID : 6105572
    分子式: C14H9N2OCl        分子量: 256.69
    IUPAC Name: 7-chloro-2-phenyl-1H-1,8-naphthyridin-4-one
    SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)Cl
    InChIKey: JSCUNIPKMPNPFX-UHFFFAOYSA-N
    InChI: InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
  8. CAY10680
      规格或纯度 :
    • ≥98%
    CAS号 : 1439488-21-7        Compound CID : 71680733
    分子式: C18H16N2O2S        分子量: 324.40
    IUPAC Name: N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
    SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=NC3=CC=CC=C3C(=O)S2
    InChIKey: QMBOZLGNPMVERZ-UHFFFAOYSA-N
    InChI: InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
  9. 5'-氨基-5'- 脱氧腺苷
      规格或纯度 :
    • ≥95%
    CAS号 : 14365-44-7        Compound CID : 9816781
    分子式: C10H14N6O3        分子量: 266.26
    IUPAC Name: (2R,3S,4R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CN)O)O)N
    InChIKey: GVSGUDGNTHCZHI-KQYNXXCUSA-N
    InChI: InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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