小分子和化合物库

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显示第112个,产品总数147

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  1. ABP 688,人类mGlu5拮抗剂
      规格或纯度 :
    • ≥98%
    • mixture of isomers
    CAS号 : 924298-51-1        Compound CID : 11481862
    分子式: C15H16N2O        分子量: 240.3
    IUPAC Name: (E)-N-methoxy-3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-imine
    SMILES: CC1=NC(=CC=C1)C#CC2=CC(=NOC)CCC2
    InChIKey: CNNZLFXCUQLKOB-BMRADRMJSA-N
    InChI: InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
  2. D-赤型鞘氨醇
    CAS号 : 123-78-4        Compound CID : 5280335
    分子式: C18H37NO2        分子量: 299.492
    IUPAC Name: (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
    SMILES: CCCCCCCCCCCCCC=CC(C(CO)N)O
    InChIKey: WWUZIQQURGPMPG-KRWOKUGFSA-N
    InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
  3. 2-(2,6-二氯苯氨基)苯乙酸
    CAS号 : 15307-86-5       
    分子式: C14H11Cl2NO2        分子量: 296.15
    IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
  4. 异樱红素
    CAS号 : 480-43-3        Compound CID : 160481
    分子式: C16H14O5        分子量: 286.28
    IUPAC Name: (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
    InChIKey: HMUJXQRRKBLVOO-AWEZNQCLSA-N
    InChI: InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
  5. 西那卡塞
    CAS号 : 226256-56-0(DMSO)        Compound CID : 156419
    分子式: C22H22F3N        分子量: 357.41
    IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
    SMILES: CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
    InChIKey: VDHAWDNDOKGFTD-MRXNPFEDSA-N
    InChI: InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
  6. HTL14242
      规格或纯度 :
    • ≥98%
    CAS号 : 1644645-32-8        Compound CID : 86763358
    分子式: C16H8ClFN4        分子量: 310.71
    IUPAC Name: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
    SMILES: C1=CC(=NC=C1F)C2=CC(=NC=N2)C3=CC(=CC(=C3)C#N)Cl
    InChIKey: FQAXDSVNYVVQSE-UHFFFAOYSA-N
    InChI: InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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