小分子和化合物库

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显示第112个,产品总数14

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  1. 邻苯二甲酸单环己酯-d4
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 1398066-18-6        Compound CID : 131698665
    分子式: C14H12D4O4        分子量: 252.3
    IUPAC Name: 2-cyclohexyloxycarbonyl-3,4,5,6-tetradeuteriobenzoate
    SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)[O-]
    InChIKey: PMDKYLLIOLFQPO-DOGSKSIHSA-M
    InChI: InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)/p-1/i4D,5D,8D,9D
  2. 4-硝基儿茶酚
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 3316-09-4        Compound CID : 3505109
    分子式: C6H5NO4        分子量: 155.11
    IUPAC Name: 4-nitrobenzene-1,2-diol
    SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)O
    InChIKey: XJNPNXSISMKQEX-UHFFFAOYSA-N
    InChI: InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
  3. 苄叉苯胺
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 538-51-2        Compound CID : 10858
    分子式: C13H11N        分子量: 181.24
    IUPAC Name: N,1-diphenylmethanimine
    SMILES: C1=CC=C(C=C1)C=NC2=CC=CC=C2
    InChIKey: UVEWQKMPXAHFST-UHFFFAOYSA-N
    InChI: InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
  4. 柠康酸
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 498-23-7        Compound CID : 643798
    分子式: C5H6O4        分子量: 130.1
    IUPAC Name: (Z)-2-methylbut-2-enedioic acid
    SMILES: CC(=CC(=O)O)C(=O)O
    InChIKey: HNEGQIOMVPPMNR-IHWYPQMZSA-N
    InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
  5. 5-氯-1-(4-哌啶基)-2-苯并咪唑酮
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 53786-28-0        Compound CID : 104607
    分子式: C12H14ClN3O        分子量: 251.71
    IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one
    SMILES: C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O
    InChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-N
    InChI: InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
  6. 7-(二乙氨基)香豆素-3-甲酸乙酯
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 28705-46-6        Compound CID : 120014
    分子式: C16H19NO4        分子量: 289.33
    IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
    SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC
    InChIKey: MSOLGAJLRIINNF-UHFFFAOYSA-N
    InChI: InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
  7. 4-氨基苯甲酸异丁酯
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 94-14-4        Compound CID : 7176
    分子式: C11H15NO2        分子量: 193.25
    IUPAC Name: 2-methylpropyl 4-aminobenzoate
    SMILES: CC(C)COC(=O)C1=CC=C(C=C1)N
    InChIKey: PUYOAVGNCWPANW-UHFFFAOYSA-N
    InChI: InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
  8. 3-(甲硫基)丙酸
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 646-01-5        Compound CID : 563
    分子式: C4H8O2S        分子量: 120.17
    IUPAC Name: 3-methylsulfanylpropanoic acid
    SMILES: CSCCC(=O)O
    InChIKey: CAOMCZAIALVUPA-UHFFFAOYSA-N
    InChI: InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
  9. 3-巯基异丁酸
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 26473-47-2        Compound CID : 152910
    分子式: C4H8O2S        分子量: 120.17
    IUPAC Name: 2-methyl-3-sulfanylpropanoic acid
    SMILES: CC(CS)C(=O)O
    InChIKey: MHRDCHHESNJQIS-UHFFFAOYSA-N
    InChI: InChI=1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
  10. N-甲基烟酰胺
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 114-33-0        Compound CID : 64950
    分子式: C7H8N2O        分子量: 136.15
    IUPAC Name: N-methylpyridine-3-carboxamide
    SMILES: CNC(=O)C1=CN=CC=C1
    InChIKey: ZYVXHFWBYUDDBM-UHFFFAOYSA-N
    InChI: InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
  11. 4-戊烯酸
      规格或纯度 :
    • ≥98%(GC)(T)
    CAS号 : 591-80-0        Compound CID : 61138
    分子式: C5H8O2        分子量: 100.12
    IUPAC Name: pent-4-enoic acid
    SMILES: C=CCCC(=O)O
    InChIKey: HVAMZGADVCBITI-UHFFFAOYSA-N
    InChI: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
  12. 盐酸阿米替林-d6
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 203645-63-0        Compound CID : 76974221
    分子式: C20H18D6ClN        分子量: 319.90
    IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
    SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-N
    InChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
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