小分子和化合物库

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显示第2536个,产品总数42

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  1. 胞苷5′-三磷酸二钠盐水合物
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 652154-13-7        Compound CID : 16211931
    分子式: C9H16N3Na2O15P3        分子量: 545.14
    IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate
    SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.O.[Na+].[Na+]
    InChIKey: IJMSOWKYYIROGP-LLWADOMFSA-L
    InChI: 1S/C9H16N3O14P3.2Na.H2O/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t4-,6See more
  2. 潮霉素B
      规格或纯度 :
    • ≥90%(HPLC)
    • 50 mg/mL in H2O
    CAS号: 31282-04-9
    分子式: C20H37N3O13        分子量: 527.52
    IUPAC Name: (2S,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1R)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxoSee more
    SMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N
    InChIKey: GRRNUXAQVGOGFE-XKIAHZFYSA-N
    InChI: 1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,1See more
  3. PARPi-FL,荧光PARP抑制剂
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 1380359-84-1        Compound CID : 70697686
    分子式: C34H32BF3N6O3        分子量: 640.46
    IUPAC Name: 4-[[3-[4-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
    SMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)CC6=NNC(=O)C7=CC=CC=C76)F)C)C)(F)F
    InChIKey: IGUTVNUEFKPBGK-UHFFFAOYSA-N
    InChI: 1S/C34H32BF3N6O3/c1-21-17-22(2)43-31(21)20-25-9-8-24(44(25)35(43,37)38)10-12-32(45)41-13-15-42(16-14-41)34(47)28-18-23(7-11-29(28)36)19-30-26-5-3-4-6-27(26)33(46)40-39-30/h3-9,11,17-18,20H,10,12-16,19See more
  4. 潮霉素B
    CAS号: 31282-04-9
    分子式: C20H37N3O13        分子量: 527.52
    IUPAC Name: (2S,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1R)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxoSee more
    SMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N
    InChIKey: GRRNUXAQVGOGFE-XKIAHZFYSA-N
    InChI: 1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,1See more
  5. 20-羧基白三烯B4
      规格或纯度 :
    • ≥90%(HPLC)
    • ~1mg/mL in ethanol
    CAS号: 80434-82-8        Compound CID : 5280877
    分子式: C20H30O6        分子量: 366.45
    IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid
    SMILES: C(CCC(=O)O)CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
    InChIKey: SXWGPVJGNOLNHT-VFLUTPEKSA-N
    InChI: 1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
  6. 丙二酰辅酶A锂盐
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 108347-84-8
    分子式: C24H38N7O19P3S • XLi        分子量: 853.58 (free acid basis)
    SMILES: [Li].CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O
    InChIKey: OPIJLICRFQMMJH-UHFFFAOYSA-N
    InChI: 1S/C24H38N7O19P3S.Li/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31;/h10-12,17-19,23See more
  7. 原卟啉IX二钠盐
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 50865-01-5        Compound CID : 71484
    分子式: C34H32N4Na2O4        分子量: 606.63
    IUPAC Name: disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
    SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]
    InChIKey: GPRXGEKBQVXWAQ-UHFFFAOYSA-L
    InChI: 1S/C34H34N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,See more
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