小分子和化合物库

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显示第112个,产品总数333

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  1. 尼群地平
    CAS号 : 39562-70-4        Compound CID : 4507
    分子式: C18H20N2O6        分子量: 360.36
    IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
    InChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-N
    InChI: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
  2. 顺-5-降冰片烯-外型-2,3-二甲酸酐
    CAS号 : 2746-19-2        Compound CID : 637794
    分子式: C9H8O3        分子量: 164.16
    IUPAC Name: (1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
    SMILES: C1C2C=CC1C3C2C(=O)OC3=O
    InChIKey: KNDQHSIWLOJIGP-RNGGSSJXSA-N
    InChI: InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
  3. 氯化血红素
    CAS号 : 16009-13-5        Compound CID : 455658
    分子式: C34H32ClN4O4Fe        分子量: 651.96
    IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
    SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
    InChIKey: BTIJJDXEELBZFS-UHFFFAOYSA-K
    InChI: InChI=1S/C34H34N4O4.ClH.Fe/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;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
  4. 六氢吡咯并[1,2-A]吡嗪-1,4-二酮
    CAS号 : 19179-12-5        Compound CID : 193540
    分子式: C7H10N2O2        分子量: 154.17
    IUPAC Name: 2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
    SMILES: C1CC2C(=O)NCC(=O)N2C1
    InChIKey: OWOHLURDBZHNGG-UHFFFAOYSA-N
    InChI: InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)
  5. 2-羟基-4-氨基-5-羟甲基嘧啶 (5hmC)
    CAS号 : 1123-95-1        Compound CID : 70751
    分子式: C5H7N3O2        分子量: 141.13
    IUPAC Name: 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one
    SMILES: C1=NC(=O)NC(=C1CO)N
    InChIKey: RYVNIFSIEDRLSJ-UHFFFAOYSA-N
    InChI: InChI=1S/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)
  6. 阿美替尼(HS-10296)
    CAS号 : 1899921-05-1        Compound CID : 121280087
    分子式: C30H35N7O2        分子量: 525.64
    IUPAC Name: N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
    SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC
    InChIKey: DOEOECWDNSEFDN-UHFFFAOYSA-N
    InChI: InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)
  7. XTP三乙胺盐(水溶液)
    CAS号 : 6253-56-1        Compound CID : 439296
    分子式: C10H15N4O15P3 (free acid)        分子量: 524.17 g/mol (free acid)
    IUPAC Name: [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O
    InChIKey: CAEFEWVYEZABLA-UUOKFMHZSA-N
    InChI: InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
  8. Prodigiosin,凋亡因子
    CAS号 : 82-89-3        Compound CID : 135455579
    分子式: C20H25N3O        分子量: 323.43
    IUPAC Name: (2Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
    SMILES: CCCCCC1=C(NC(=C1)C=C2C(=CC(=N2)C3=CC=CN3)OC)C
    InChIKey: SHUNBVWMKSXXOM-UNOMPAQXSA-N
    InChI: InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21-22H,4-6,8H2,1-3H3/b19-12-
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