小分子和化合物库

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显示第112个,产品总数43

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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. (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
  3. 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
  4. 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)
  5. 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
  6. 硝苯地平
    CAS号 : 21829-25-4        Compound CID : 4485
    分子式: C17H18N2O6        分子量: 346.33
    IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
    InChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
  7. 5-(4-苯氧基丁氧基)补骨脂素(PAP-1)
    CAS号 : 870653-45-5        Compound CID : 11302540
    分子式: C21H18O5        分子量: 350.36
    IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
    SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4
    InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N
    InChI: InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
  8. 天然辣椒碱
    CAS号 : 404-86-4        Compound CID : 1548943
    分子式: C18H27NO3        分子量: 305.41
    IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
    InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
  9. 天然辣椒碱
    CAS号 : 404-86-4        Compound CID : 1548943
    分子式: C18H27NO3        分子量: 305.41
    IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
    InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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