小分子和化合物库

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显示第1324个,产品总数1,606

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  1. Safinamide甲磺酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 202825-46-5        Compound CID : 3038502
    分子式: C17H19FN2O2·CH4O3S        分子量: 398.45
    IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
    SMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
    InChIKey: YKOCHIUQOBQIAC-YDALLXLXSA-N
    InChI: 1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1
  2. 盐酸特拉唑嗪
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 63074-08-8        Compound CID : 44383
    分子式: C19H25N5O4 · HCl        分子量: 423.89
    IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
    SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.Cl
    InChIKey: IWSWDOUXSCRCKW-UHFFFAOYSA-N
    InChI: 1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H
  3. 银锻苷
    CAS号: 20316-62-5        Compound CID : 5320686
    分子式: C30H26O13        分子量: 594.52
    IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
    InChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-N
    InChI: 1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,See more
  4. 文多灵
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 2182-14-1        EC号: 218-558-0        Compound CID : 260535
    分子式: C25H32N2O6        分子量: 456.53
    IUPAC Name: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
    SMILES: CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
    InChIKey: CXBGOBGJHGGWIE-ACSXSLCXSA-N
    InChI: 1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1
  5. 酒石酸长春瑞滨
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 125317-39-7
    分子式: C45H54N4O8·2C4H6O6·xH2O        分子量: 1079.11(dry basis)
    IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaSee more
    SMILES: CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey: CILBMBUYJCWATM-LNLXBTRNSA-N
    InChI: 1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53See more
  6. 比卡鲁胺
    CAS号: 90357-06-5        EC号: MFCD00869971
    分子式: C18H14F4N2O4S        分子量: 430.37
    IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
    SMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
    InChIKey: LKJPYSCBVHEWIU-UHFFFAOYSA-N
    InChI: 1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
  7. 盐酸阿洛司琼
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 122852-69-1
    分子式: C17H19ClN4O        分子量: 330.81
    IUPAC Name: 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride
    SMILES: CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
    InChIKey: FNYQZOVOVDSGJH-UHFFFAOYSA-N
    InChI: 1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
  8. JJKK 048,DNA烷基化剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 3543-75-7
    分子式: C16H21Cl2N3O2·HCl        分子量: 394.72
    IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride
    SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl
    InChIKey: ZHSKUOZOLHMKEA-UHFFFAOYSA-N
    InChI: 1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H
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