小分子和化合物库

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显示第112个,产品总数117

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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. LY2795050,κ-阿片受体(KOR)拮抗剂
    CAS号 : 1346133-08-1        Compound CID : 56851583
    分子式: C23H22ClN3O2        分子量: 407.89
    IUPAC Name: 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide
    SMILES: C1CC(N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)Cl)C4=CN=CC=C4
    InChIKey: LOOCZNLSXJHWTG-NRFANRHFSA-N
    InChI: InChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1
  5. 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
  6. Herkinorin,激动剂
      规格或纯度 :
    • ≥98%
    CAS号 : 862073-77-6        Compound CID : 11431898
    分子式: C28H30O8        分子量: 494.53
    IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
    SMILES: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)OC(=O)C4=CC=CC=C4)C)C5=COC=C5
    InChIKey: PYDQMXRFUVDCHC-XAGHGKQISA-N
    InChI: InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
  7. Salvinorin B,激动剂
      规格或纯度 :
    • ≥95%
    CAS号 : 92545-30-7        Compound CID : 11440685
    分子式: C21H26O7        分子量: 390.43
    IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
    SMILES: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)O)C)C4=COC=C4
    InChIKey: BLTMVAIOAAGYAR-CEFSSPBYSA-N
    InChI: InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
  8. (-)-U-50488 HCl,κ激动剂
      规格或纯度 :
    • ≥99%(HPLC)
    CAS号 : 114528-79-9        Compound CID : 9931141
    分子式: C19H26Cl2N2O · HCl · xH2O        分子量: 405.79 (anhydrous basis)
    IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
    SMILES: CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
    InChIKey: KGMMGVIYOHGOKQ-APTPAJQOSA-N
    InChI: InChI=1S/C19H26Cl2N2O.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17-,18-;/m0./s1
  9. ML 190,κ阿片受体拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1355244-02-8        Compound CID : 44665680
    分子式: C27H32N6O3        分子量: 488.58
    IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(13-methyl-7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-yl)acetamide
    SMILES: CC1=C2C(=NC=C1)N(C(=O)C3=CC=CN32)CC(=O)NCCCN4CCN(CC4)C5=CC=C(C=C5)OC
    InChIKey: PMTIWRPLQBVEMR-UHFFFAOYSA-N
    InChI: InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
  10. (+/-)-反式-U-50488甲磺酸盐
    CAS号 : 83913-05-7        Compound CID : 135349
    分子式: C19H26Cl2N2O・CH4O3S        分子量: 465.43
    IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid
    SMILES: CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O
    InChIKey: OJPHNZCUXUUVKU-JAXOOIEVSA-N
    InChI: InChI=1S/C19H26Cl2N2O.CH4O3S/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;1-5(2,3)4/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H3,(H,2,3,4)/t17-,18-;/m1./s1
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