小分子和化合物库

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显示第112个,产品总数59

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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. 西维来司钠
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 150374-95-1        Compound CID : 23664980
    分子式: C20H21N2NaO7S        分子量: 456.44
    IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate
    SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
    InChIKey: ZAIFANJZUGNYCK-UHFFFAOYSA-M
    InChI: InChI=1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
  6. GW311616盐酸盐
    CAS号 : 197890-44-1        Compound CID : 9889108
    分子式: C19H31N3O4S・HCl        分子量: 434
    IUPAC Name: (3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride
    SMILES: CC(C)C1C2C(CCN2C(=O)C=CCN3CCCCC3)N(C1=O)S(=O)(=O)C.Cl
    InChIKey: UFCZUKYPBPXODT-OFTZGUNKSA-N
    InChI: InChI=1S/C19H31N3O4S.ClH/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20;/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3;1H/b8-7+;/t15-,17+,18-;/m1./s1
  7. 3,4二氯异香豆素
      规格或纯度 :
    • ≥98%
    CAS号 : 51050-59-0        Compound CID : 1609
    分子式: C9H4Cl2O2        分子量: 215.03
    IUPAC Name: 3,4-dichloroisochromen-1-one
    SMILES: C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl
    InChIKey: SUGXUUGGLDCZKB-UHFFFAOYSA-N
    InChI: InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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