小分子和化合物库

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显示第112个,产品总数105

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  1. 依利罗地
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 119431-25-3        Compound CID : 60703
    分子式: C20H23ClFNO        分子量: 347.85
    IUPAC Name: 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
    SMILES: C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
    InChIKey: GGUSQTSTQSHJAH-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
  2. Ro 25-6981
      规格或纯度 :
    • ≥98%
    CAS号 : 169274-78-6        Compound CID : 6604887
    分子式: C22H29NO2        分子量: 339.47
    IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
    SMILES: CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)O
    InChIKey: WVZSEUPGUDIELE-HTAPYJJXSA-N
    InChI: InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
  3. Ro 25-6981马来酸盐
      规格或纯度 :
    • ≥98%
    CAS号 : 169274-78-6        Compound CID : 6604887
    分子式: C22H29NO2        分子量: 339.47
    IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
    SMILES: CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)O
    InChIKey: WVZSEUPGUDIELE-HTAPYJJXSA-N
    InChI: InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
  4. DH 97
    CAS号 : 343263-95-6        Compound CID : 3467177
    分子式: C22H26N2O        分子量: 334.46
    IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
    SMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
  5. N-benzylbenzamidine
           Compound CID : 200369
    分子式: C14H14N2        分子量: 210.27
    IUPAC Name: N'-benzylbenzenecarboximidamide
    SMILES: C1=CC=C(C=C1)CN=C(C2=CC=CC=C2)N
    InChIKey: QZARWWZWTPDHPY-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
  6. 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
    CAS号 : 893772-64-0        Compound CID : 1394668
    分子式: C19H21N3O        分子量: 307.4
    IUPAC Name: 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
    SMILES: C1CCN(CC1)CC2=C(C=CC3=C2N=C(N3)C4=CC=CC=C4)O
    InChIKey: FVHKIGHCUWTXCC-UHFFFAOYSA-N
    InChI: InChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)
  7. EVT-101 free base
    CAS号 : 627525-33-1        Compound CID : 22240172
    分子式: C16H13F3N4        分子量: 318.3
    IUPAC Name: 5-[3-(difluoromethyl)-4-fluorophenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
    SMILES: CC1=NC=CN1CC2=NN=CC(=C2)C3=CC(=C(C=C3)F)C(F)F
    InChIKey: BOVUHBFXPNLTKF-UHFFFAOYSA-N
    InChI: InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3
  8. 甘氨酸
    CAS号 : 56-40-6        Compound CID : 750
    分子式: NH2CH2COOH        分子量: 75.07
    IUPAC Name: 2-aminoacetic acid
    SMILES: C(C(=O)O)N
    InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
    InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
  9. 阿戈美拉汀
    CAS号 : 138112-76-2        Compound CID : 82148
    分子式: C15H17NO2        分子量: 243.3
    IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
    InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N
    InChI: InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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