小分子和化合物库

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显示第112个,产品总数158

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  1. 喹夫拉朋
      规格或纯度 :
    • ≥98%
    CAS号 : 136668-42-3        Compound CID : 60923
    分子式: C34H35ClN2O3S        分子量: 587.17
    IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
    SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O
    InChIKey: NZOONKHCNQFYCI-UHFFFAOYSA-N
    InChI: InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
  2. 3,5,7,8-四氢-2-甲基-4H-硫代吡喃并[4,3-D]嘧啶-4-酮
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 284028-90-6        Compound CID : 135522417
    分子式: C8H10N2OS        分子量: 182.24
    IUPAC Name: 2-methyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
    SMILES: CC1=NC2=C(CSCC2)C(=O)N1
    InChIKey: HRYKZAKEAVZGJD-UHFFFAOYSA-N
    InChI: InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
  3. UPF 1069,PARP2抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1048371-03-4        Compound CID : 25015515
    分子式: C17H13NO3        分子量: 279.29
    IUPAC Name: 5-phenacyloxy-2H-isoquinolin-1-one
    SMILES: C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=O
    InChIKey: JJWMRRNGWSITSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)
  4. 利克飞龙
      规格或纯度 :
    • ≥98%
    CAS号 : 156897-06-2        Compound CID : 133021
    分子式: C23H22ClNO2        分子量: 379.88
    IUPAC Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
    SMILES: CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
    InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N
    InChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
  5. 4-氨基-1,8-萘酰亚胺
      规格或纯度 :
    • ≥95%
    CAS号 : 1742-95-6        Compound CID : 1720
    分子式: C12H8N2O2        分子量: 212.2
    IUPAC Name: 6-aminobenzo[de]isoquinoline-1,3-dione
    SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N
    InChIKey: SSMIFVHARFVINF-UHFFFAOYSA-N
    InChI: InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
  6. DPQ,PARP-1抑制剂
    CAS号 : 129075-73-6       
    分子式: C18H26N2O2        分子量: 302.41
    IUPAC Name: 5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
    SMILES: C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O
    InChIKey: RVOUDNBEIXGHJY-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
  7. AUDA
      规格或纯度 :
    • ≥98%
    CAS号 : 479413-70-2        Compound CID : 10069117
    分子式: C23H40N2O3        分子量: 392.58
    IUPAC Name: 12-(1-adamantylcarbamoylamino)dodecanoic acid
    SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)O
    InChIKey: XLGSEOAVLVTJDH-UHFFFAOYSA-N
    InChI: InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
  8. BYK204165
      规格或纯度 :
    • ≥98%
    CAS号 : 1104546-89-5        Compound CID : 25113764
    分子式: C15H12N2O2        分子量: 252.27
    IUPAC Name: (4Z)-4-[(1-methylpyrrol-2-yl)methylidene]isoquinoline-1,3-dione
    SMILES: CN1C=CC=C1C=C2C3=CC=CC=C3C(=O)NC2=O
    InChIKey: BTYSIDSTHDDAJW-LCYFTJDESA-N
    InChI: InChI=1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-
  9. 替泊沙林
      规格或纯度 :
    • ≥98%
    CAS号 : 103475-41-8        Compound CID : 59757
    分子式: C20H20ClN3O3        分子量: 385.84
    IUPAC Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpropanamide
    SMILES: CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O
    InChIKey: XYKWNRUXCOIMFZ-UHFFFAOYSA-N
    InChI: InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
  10. 2-羟基-5-甲氧基-3-十一烷基-[1,4]苯醌
    CAS号 : 56005-10-8        Compound CID : 171489
    分子式: C18H28O4        分子量: 308.418
    IUPAC Name: 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
    SMILES: CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
    InChIKey: KHBJLRRAMCJZLZ-UHFFFAOYSA-N
    InChI: InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
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