小分子和化合物库

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显示第193204个,产品总数14,326

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  1. 苏拉明六钠盐
      规格或纯度 :
    • ≥98%
    CAS号: 129-46-4        EC号: 204-949-3
    分子式: C51H34N6Na6O23S6        分子量: 1429.17
    IUPAC Name: hexasodium;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
    SMILES: CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-See more
    InChIKey: VAPNKLKDKUDFHK-UHFFFAOYSA-H
    InChI: 1S/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(See more
  2. 盐酸沙格雷酯
      规格或纯度 :
    • ≥98%
    CAS号: 135159-51-2        Compound CID : 444005
    分子式: C24H31NO6.HCl        分子量: 465.97
    IUPAC Name: 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride
    SMILES: CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O.Cl
    InChIKey: POQBIDFFYCYHOB-UHFFFAOYSA-N
    InChI: 1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H
  3. 西他生坦钠
      规格或纯度 :
    • ≥98%
    CAS号: 210421-74-2        Compound CID : 11477084
    分子式: C18H14ClN2NaO6S2        分子量: 476.89
    IUPAC Name: sodium;(4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
    SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]
    InChIKey: MDTNUYUCUYPIHE-UHFFFAOYSA-N
    InChI: 1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1
  4. SRT1720,SIRT1激活剂
      规格或纯度 :
    • ≥98%
    CAS号: 1001645-58-4        Compound CID : 25232708
    分子式: C25H23N7OS.HCl        分子量: 506.02
    IUPAC Name: N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide;hydrochloride
    SMILES: C1CN(CCN1)CC2=CSC3=NC(=CN23)C4=CC=CC=C4NC(=O)C5=NC6=CC=CC=C6N=C5.Cl
    InChIKey: DTGRRMPPXCRRIM-UHFFFAOYSA-N
    InChI: 1S/C25H23N7OS.ClH/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31;/h1-8,13,15-16,26H,9-12,14H2,(H,29,33);1H
  5. 磷酸西他列汀一水合物
      规格或纯度 :
    • ≥98%
    CAS号: 654671-77-9        Compound CID : 11591741
    分子式: C16H15F6N5O.H3PO4.H2O        分子量: 523.32
    IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid;hydrate
    SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O
    InChIKey: GQPYTJVDPQTBQC-KLQYNRQASA-N
    InChI: 1S/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1
  6. (S)-(-)-普奈洛尔 盐酸盐
      规格或纯度 :
    • ≥98%
    CAS号: 4199-10-4        EC号: 224-096-0        Compound CID : 165193
    分子式: C10H7OCH2CH(OH)CH2NHCH(CH3)2·HCl        分子量: 295.8
    IUPAC Name: (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
    SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
    InChIKey: ZMRUPTIKESYGQW-UQKRIMTDSA-N
    InChI: 1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m0./s1
  7. S-(4-硝基苄基)-6-硫肌苷
      规格或纯度 :
    • ≥98%
    CAS号: 38048-32-7        Compound CID : 65407
    分子式: C17H17N5O6S        分子量: 419.412
    IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
    SMILES: C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]
    InChIKey: DYCJFJRCWPVDHY-LSCFUAHRSA-N
    InChI: 1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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