小分子和化合物库

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显示第112个,产品总数110

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  1. NNC 55-0396二盐酸盐
      规格或纯度 :
    • ≥99%
    CAS号 : 357400-13-6        Compound CID : 22084904
    分子式: C30H40Cl2FN3O2        分子量: 564.6
    IUPAC Name: [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochloride
    SMILES: CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.Cl
    InChIKey: BCCQNBXHUMKLFW-HNQRYHMESA-N
    InChI: InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
  2. 脱甲基YM298198盐酸盐
      规格或纯度 :
    • ≥99%
    CAS号 : 299901-57-8        Compound CID : 11716890
    分子式: C17H20N4OS.HCl        分子量: 364.89
    IUPAC Name: 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
    SMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4
    InChIKey: VWOMTTIMBHBPBI-UHFFFAOYSA-N
    InChI: InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
  3. (2R/S)-6-PNG,CaV3.2阻滞剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 68682-01-9        Compound CID : 3519901
    分子式: C20H20O5        分子量: 340.37
    IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    SMILES: CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C
    InChIKey: YHWNASRGLKJRJJ-UHFFFAOYSA-N
    InChI: InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
  4. 伊福地平
    CAS号 : 111011-63-3        Compound CID : 119171
    分子式: C34H38N3O7P        分子量: 631.66
    IUPAC Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
    SMILES: CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
    InChIKey: NSVFSAJIGAJDMR-UHFFFAOYSA-N
    InChI: InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
  5. Apinocaltamide
    CAS号 : 1838651-58-3        Compound CID : 118560618
    分子式: C22H18F3N5O        分子量: 425.41
    IUPAC Name: N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
    SMILES: C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)F
    InChIKey: LSYANGLAZUZYFX-UHFFFAOYSA-N
    InChI: InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
  6. TTA-A2
      规格或纯度 :
    • ≥98%
    CAS号 : 953778-63-7        Compound CID : 53317097
    分子式: C20H21F3N2O2        分子量: 378.39
    IUPAC Name: 2-(4-cyclopropylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
    SMILES: CC(C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)CC2=CC=C(C=C2)C3CC3
    InChIKey: GEYDMBNDOVPFJL-CYBMUJFWSA-N
    InChI: InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1
  7. CFMTI
      规格或纯度 :
    • ≥98%
    CAS号 : 864864-17-5        Compound CID : 11175501
    分子式: C19H16FN5O        分子量: 349.36
    IUPAC Name: 2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
    SMILES: CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
    InChIKey: XZBFQWRAIYRPPZ-UHFFFAOYSA-N
    InChI: InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
  8. 9-(Dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone
    CAS号 : 159583-16-1        Compound CID : 1208332
    分子式: C18H16N4O2S        分子量: 352.4
    IUPAC Name: 13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
    SMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)OC)SC2=NC=C1
    InChIKey: COQPVKMATNFNLG-UHFFFAOYSA-N
    InChI: InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3
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