Vitas-M small molecule compound
methyl (3E)-3-(4-chlorobenzylidene)-2-oxocyclohexanecarboxylate
Catalog ID
STK993294
SMILES COC(=O)C1CCC/C(=C\c2ccc(cc2)Cl)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C15H15ClO3 MW 278.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClO3/c1-19-15(18)13-4-2-3-11(14(13)17)9-10-5-7-12(16)8-6-10/h5-9,13H,2-4H2,1H3/b11-9+InChIKey
QSCHCEQTPXDQSD-PKNBQFBNSA-NSynonyms
COC(=O)C1CCCC(=CC2=CC=C(C=C2)Cl)C1=O
COC(=O)C1CCCC(=Cc2ccc(cc2)Cl)C1=O
InChI=1SC15H15ClO3c11915(18)1342311(14(13)17)9105712(16)8610h5913H24H21H3b119+
methyl(3E)3((4chlorophenyl)methylidene)2oxocyclohexane1carboxylate
methyl(3E)3(4chlorobenzylidene)2oxocyclohexanecarboxylate
MFCD18184833
ZINC000051329886
ZINC000051329887
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