Vitas-M small molecule compound
(6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone
Catalog ID
STL325522
SMILES O=C1/C(=C/c2ccc(cc2)Cl)/CCCC1(C)C
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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 C15H17ClO MW 248.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClO/c1-15(2)9-3-4-12(14(15)17)10-11-5-7-13(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3/b12-10+InChIKey
UROINPCTKGKEHG-ZRDIBKRKSA-NSynonyms
131984-52-6(6E)6((4CHLOROPHENYL)METHYLIDENE)22DIMETHYLCYCLOHEXAN1ONE
(6E)6(4chlorobenzylidene)22dimethylcyclohexanone
(E)6(4chlorobenzylidene)22dimethylcyclohexanone
131984526
CC1(CCCC(=CC2=CC=C(C=C2)Cl)C1=O)C
InChI=1SC15H17ClOc115(2)93412(14(15)17)10115713(16)8611h5810H349H212H3b1210+
MFCD01088717
O=C1C(=Cc2ccc(cc2)Cl)CCCC1(C)C
ZINC000004836917
ZINC04836917
ZINC4836917
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