小分子和化合物库

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显示第112个,产品总数449

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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. N-去甲基氯氮平
    CAS号 : 6104-71-8        Compound CID : 135409468
    分子式: C17H17ClN4        分子量: 312.8
    IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
    InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
  3. 4-(5-氨基-2-(吡啶-3-基)噻唑并[5,4-d]嘧啶-7-基)-Np-甲苯基哌嗪-1-甲酰胺
    CAS号 : 1245319-54-3        Compound CID : 46916382
    分子式: C22H22N8OS        分子量: 446.53
    IUPAC Name: 4-(5-amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
    SMILES: CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C(=NC(=N3)N)SC(=N4)C5=CN=CC=C5
    InChIKey: UWTRKIJAGTTXNM-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22N8OS/c1-14-4-6-16(7-5-14)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)32-19(26-17)15-3-2-8-24-13-15/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)
  4. 利莫那班
      规格或纯度 :
    • ≥98%
    CAS号 : 168273-06-1        Compound CID : 104850
    分子式: C22H21Cl3N4O        分子量: 463.79
    IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
    SMILES: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl
    InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N
    InChI: InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
  5. 西洛多辛
    CAS号 : 160970-54-7        Compound CID : 5312125
    分子式: C25H32F3N3O4        分子量: 495.53
    IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
    SMILES: NC(C1=CC(C[C@@H](C)NCCOC2=C(OCC(F)(F)F)C=CC=C2)=CC3=C1N(CCCO)CC3)=O
    InChIKey: PNCPYILNMDWPEY-QGZVFWFLSA-N
    InChI: InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
  6. 替戈布韦
    CAS号 : 1000787-75-6        Compound CID : 23649154
    分子式: C25H14F7N5        分子量: 517.40
    IUPAC Name: 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
    SMILES: C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)F
    InChIKey: XBEQSQDCBSKCHJ-UHFFFAOYSA-N
    InChI: InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
  7. 卡维地洛
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 72956-09-3        Compound CID : 2585
    分子式: C24H26N2O4        分子量: 406.47
    IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
    SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
    InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N
    InChI: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
  8. 羟基法舒地尔
      规格或纯度 :
    • ≥98%
    CAS号 : 105628-72-6        Compound CID : 3064778
    分子式: C14H17N3O3S        分子量: 307.37
    IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one
    SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O
    InChIKey: ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
    InChI: InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
  9. 伊斯平斯
      规格或纯度 :
    • ≥98%
    CAS号 : 336113-53-2        Compound CID : 6851740
    分子式: C30H33ClN4O2        分子量: 517.06
    IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
    SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C
    InChIKey: QJZRFPJCWMNVAV-HHHXNRCGSA-N
    InChI: InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
  10. LY2183240,花生四烯酸摄取抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 874902-19-9        Compound CID : 11507802
    分子式: C17H17N5O        分子量: 307.35
    IUPAC Name: N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamide
    SMILES: CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3
    InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
  11. 安吖啶
      规格或纯度 :
    • ≥99%
    CAS号 : 51264-14-3        Compound CID : 2179
    分子式: C21H19N3O3S        分子量: 393.46
    IUPAC Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
    SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42
    InChIKey: XCPGHVQEEXUHNC-UHFFFAOYSA-N
    InChI: InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
  12. NPS 2143盐酸盐
      规格或纯度 :
    • ≥99%
    CAS号 : 324523-20-8        Compound CID : 9868131
    分子式: C24H25ClN2O2.HCl        分子量: 445.39
    IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochloride
    SMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.Cl
    InChIKey: ZEBNDUQLNGYBNL-VEIFNGETSA-N
    InChI: InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
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