小分子和化合物库

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显示第112个,产品总数13

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  1. PF-4840154
      规格或纯度 :
    • ≥99%
    CAS号 : 1332708-14-1        Compound CID : 53380803
    分子式: C26H38N6O2        分子量: 466.62
    IUPAC Name: N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
    SMILES: CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)N3CCN(CC3)CC4CCCOC4
    InChIKey: PPANZCQXFYBGHN-UHFFFAOYSA-N
    InChI: InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
  2. (-)-薄荷醇
      规格或纯度 :
    • ≥99%
    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. 尼泊金甲酯
    CAS号 : 99-76-3        Compound CID : 7456
    分子式: C8H8O3        分子量: 152.15
    IUPAC Name: methyl 4-hydroxybenzoate
    SMILES: COC(=O)C1=CC=C(C=C1)O
    InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N
    InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
  4. 水杨酸甲酯
      规格或纯度 :
    • AR
    • ≥99%
    CAS号 : 119-36-8       
    分子式: C8H8O3        分子量: 152.15
    IUPAC Name: methyl 2-hydroxybenzoate
    SMILES: COC(=O)C1=CC=CC=C1O
    InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
    InChI: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
  5. 水杨酸甲酯
    CAS号 : 119-36-8       
    分子式: C8H8O3        分子量: 152.15
    IUPAC Name: methyl 2-hydroxybenzoate
    SMILES: COC(=O)C1=CC=CC=C1O
    InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
    InChI: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
  6. 尼泊金甲酯
    CAS号 : 99-76-3        Compound CID : 7456
    分子式: C8H8O3        分子量: 152.15
    IUPAC Name: methyl 4-hydroxybenzoate
    SMILES: COC(=O)C1=CC=C(C=C1)O
    InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N
    InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
  7. 2-苯基乙基异硫代氰酸酯
      规格或纯度 :
    • ≥99%
    CAS号 : 2257-09-2        Compound CID : 16741
    分子式: C6H5CH2CH2NCS        分子量: 163.24
    IUPAC Name: 2-isothiocyanatoethylbenzene
    SMILES: C1=CC=C(C=C1)CCN=C=S
    InChIKey: IZJDOKYDEWTZSO-UHFFFAOYSA-N
    InChI: InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
  8. 白藜芦醇
    CAS号 : 501-36-0        Compound CID : 445154
    分子式: C14H12O3        分子量: 228.24
    IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
    InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
    InChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
  9. 对苯醌
    CAS号 : 106-51-4        Compound CID : 4650
    分子式: C6H4O2        分子量: 108.1
    IUPAC Name: cyclohexa-2,5-diene-1,4-dione
    SMILES: C1=CC(=O)C=CC1=O
    InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
    InChI: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
  10. 香芹酚
    CAS号 : 499-75-2        Compound CID : 10364
    分子式: C10H14O        分子量: 150.22
    IUPAC Name: 2-methyl-5-propan-2-ylphenol
    SMILES: CC1=C(C=C(C=C1)C(C)C)O
    InChIKey: RECUKUPTGUEGMW-UHFFFAOYSA-N
    InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
  11. 氟灭酸
    CAS号 : 530-78-9        Compound CID : 3371
    分子式: C14H10F3NO2        分子量: 281.23
    IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid
    SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
    InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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