小分子和化合物库

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显示第112个,产品总数122

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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. 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)
  5. 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)
  6. 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
  7. 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)
  8. D-天冬氨酸
    CAS号 : 1783-96-6        Compound CID : 83887
    分子式: C4H7NO4        分子量: 133.10
    IUPAC Name: (2R)-2-aminobutanedioic acid
    SMILES: C(C(C(=O)O)N)C(=O)O
    InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N
    InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
  9. N-甲基-D-天冬氨酸
    CAS号 : 6384-92-5        Compound CID : 22880
    分子式: C5H9NO4        分子量: 147.13
    IUPAC Name: (2R)-2-(methylamino)butanedioic acid
    SMILES: CNC(CC(=O)O)C(=O)O
    InChIKey: HOKKHZGPKSLGJE-GSVOUGTGSA-N
    InChI: InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
  10. D-丝氨酸
    CAS号 : 312-84-5        Compound CID : 71077
    分子式: C3H7NO3        分子量: 105.09
    IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acid
    SMILES: C(C(C(=O)O)N)O
    InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N
    InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
  11. 1-金刚烷胺
    CAS号 : 768-94-5       
    分子式: C10H17N        分子量: 151.25
    IUPAC Name: adamantan-1-amine
    SMILES: C1C2CC3CC1CC(C2)(C3)N
    InChIKey: DKNWSYNQZKUICI-UHFFFAOYSA-N
    InChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
  12. L-天门冬氨酸
    CAS号 : 56-84-8        Compound CID : 5960
    分子式: C4H7NO4        分子量: 133.10
    IUPAC Name: (2S)-2-aminobutanedioic acid
    SMILES: N[C@@H](CC(O)=O)C(O)=O
    InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N
    InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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