小分子和化合物库

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显示第112个,产品总数163

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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. (-)-薄荷醇
    CAS号 : 2216-51-5       
    分子式: C10H20O        分子量: 156.27
    IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
    SMILES: CC1CCC(C(C1)O)C(C)C
    InChIKey: NOOLISFMXDJSKH-KXUCPTDWSA-N
    InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
  3. 麝香草酚
    CAS号 : 89-83-8       
    分子式: C10H14O        分子量: 150.22
    IUPAC Name: 5-methyl-2-propan-2-ylphenol
    SMILES: CC1=CC(=C(C=C1)C(C)C)O
    InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
    InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
  4. 长春质碱
    CAS号 : 2468-21-5        Compound CID : 5458190
    分子式: C21H24N2O2        分子量: 336.43
    IUPAC Name: methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
    SMILES: CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
    InChIKey: CMKFQVZJOWHHDV-NQZBTDCJSA-N
    InChI: InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
  5. 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)
  6. 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
  7. 1-异硫氰酸根-6-(甲基亚硫基)-己烷
      规格或纯度 :
    • ≥98%
    CAS号 : 4430-39-1       
    分子式: C8H15NS2        分子量: 189.34
    IUPAC Name: 1-isothiocyanato-6-methylsulfanylhexane
    SMILES: CSCCCCCCN=C=S
    InChIKey: YIBXPFAXPUDDTK-UHFFFAOYSA-N
    InChI: InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3
  8. Berteroin,抗氧化剂
      规格或纯度 :
    • ≥97%
    CAS号 : 4430-42-6        Compound CID : 206037
    分子式: C7H13NS2        分子量: 175.32
    IUPAC Name: 1-isothiocyanato-5-methylsulfanylpentane
    SMILES: CSCCCCCN=C=S
    InChIKey: HBVIMVJTUQNSEP-UHFFFAOYSA-N
    InChI: InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
  9. 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
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