小分子和化合物库

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显示第112个,产品总数126

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  1. 安替比林
    CAS号 : 60-80-0        Compound CID : 2206
    分子式: C11H12N2O        分子量: 188.23
    IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one
    SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
    InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N
    InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
  2. 4-(4-氯苯基)-2-(2-环戊烯肼基)噻唑(CPTH2)
      规格或纯度 :
    • ≥98%
    CAS号 : 357649-93-5        Compound CID : 25193530
    分子式: C14H14ClN3S        分子量: 291.8
    IUPAC Name: 4-(4-chlorophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine
    SMILES: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C1
    InChIKey: YYTHPXHGWSAKIZ-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
  3. 乙酰水杨酸(ASA)
    CAS号 : 50-78-2        Compound CID : 2244
    分子式: C9H8O4        分子量: 180.16
    IUPAC Name: 2-acetyloxybenzoic acid
    SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
  4. 异丙烟肼
      规格或纯度 :
    • ≥96%(HPLC)(T)
    CAS号 : 54-92-2        Compound CID : 3748
    分子式: C9H13N3O        分子量: 179.22
    IUPAC Name: N'-propan-2-ylpyridine-4-carbohydrazide
    SMILES: CC(C)NNC(=O)C1=CC=NC=C1
    InChIKey: NYMGNSNKLVNMIA-UHFFFAOYSA-N
    InChI: InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
  5. 安替比林
      规格或纯度 :
    • ≥99%
    CAS号 : 60-80-0        Compound CID : 2206
    分子式: C11H12N2O        分子量: 188.23
    IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one
    SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
    InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N
    InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
  6. 胡椒碱
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 7780-20-3        Compound CID : 638024
    分子式: C17H19NO3        分子量: 285.37
    IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
    SMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
    InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N
    InChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
  7. CAY10680
      规格或纯度 :
    • ≥98%
    CAS号 : 1439488-21-7        Compound CID : 71680733
    分子式: C18H16N2O2S        分子量: 324.40
    IUPAC Name: N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
    SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=NC3=CC=CC=C3C(=O)S2
    InChIKey: QMBOZLGNPMVERZ-UHFFFAOYSA-N
    InChI: InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
  8. 羟布宗
    CAS号 : 129-20-4        Compound CID : 4641
    分子式: C19H20N2O3        分子量: 324.37
    IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
    SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
    InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
  9. 4′-(4-溴苄氧基)苯乙酮
      规格或纯度 :
    • ≥98%
    CAS号 : 694443-80-6        Compound CID : 2195073
    分子式: C15H13BrO2        分子量: 305.17
    IUPAC Name: 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone
    SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)Br
    InChIKey: UNFAYODHYINMBE-UHFFFAOYSA-N
    InChI: InChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
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