小分子和化合物库

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  1. WIKI4,酪氨酸酶抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 838818-26-1        Compound CID : 2984337
    分子式: C29H23N5O3S        分子量: 521.59
    IUPAC Name: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
    SMILES: COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6
    InChIKey: RNUXIZKXJOGYQP-UHFFFAOYSA-N
    InChI: 1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3
  2. WAY 181187 草酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1883548-85-3        Compound CID : 121513871
    分子式: C15H13ClN4O2S2.C2H2O4        分子量: 470.91
    IUPAC Name: 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine;oxalic acid
    SMILES: C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=C(N=C4N3C=CS4)Cl)CCN.C(=O)(C(=O)O)O
    InChIKey: KAFVDFYVWBASDD-UHFFFAOYSA-N
    InChI: 1S/C15H13ClN4O2S2.C2H2O4/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20;3-1(4)2(5)6/h1-4,7-9H,5-6,17H2;(H,3,4)(H,5,6)
  3. VU 0155041 钠盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1259372-69-4        Compound CID : 56972207
    分子式: C14H14Cl2NNaO3        分子量: 338.16
    IUPAC Name: sodium;(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylate
    SMILES: C1CCC(C(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)[O-].[Na+]
    InChIKey: ZFDOLOCYGVTGDQ-ZVWHLABXSA-M
    InChI: 1S/C14H15Cl2NO3.Na/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20;/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20);/q;+1/p-1/t11-,12+;/m0./s1
  4. VU 0360172 盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1309976-62-2        Compound CID : 53384852
    分子式: C18H15FN2O.HCl        分子量: 330.78
    IUPAC Name: N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;hydrochloride
    SMILES: C1CC(C1)NC(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F.Cl
    InChIKey: NBGAPTWZQXSEAA-UHFFFAOYSA-N
    InChI: 1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H
  5. VU 0650991,GLP-1拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 488097-06-9        Compound CID : 1941609
    分子式: C16H11ClF6N4O2        分子量: 440.73
    IUPAC Name: 7-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
    SMILES: CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3=CC=C(C=C3)Cl)(C(F)(F)F)C(F)(F)F
    InChIKey: MFEIZMHODFOWAT-UHFFFAOYSA-N
    InChI: 1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)
  6. VU 0467485,M4受体的正变构调节剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1451994-10-7        Compound CID : 89777239
    分子式: C17H17FN4O2S        分子量: 360.41
    IUPAC Name: 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
    SMILES: CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)C
    InChIKey: VFNHDIWHQGVWLL-UHFFFAOYSA-N
    InChI: 1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
  7. VU 0463271,KCC2抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1391737-01-1        Compound CID : 70690453
    分子式: C19H18N4OS2        分子量: 382.5
    IUPAC Name: N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
    SMILES: CC1=CSC(=N1)N(C2CC2)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4
    InChIKey: DPONSKCACOZTGN-UHFFFAOYSA-N
    InChI: 1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3
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