Vitas-M small molecule compound
methyl (3E)-3-(4-chlorobenzylidene)-2-oxocycloheptanecarboxylate
Catalog ID
STK993293
SMILES COC(=O)C1CCCC/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 C16H17ClO3 MW 292.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClO3/c1-20-16(19)14-5-3-2-4-12(15(14)18)10-11-6-8-13(17)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+InChIKey
VNINQEWYPQDJIV-ZRDIBKRKSA-NSynonyms
COC(=O)C1CCCCC(=CC2=CC=C(C=C2)Cl)C1=O
COC(=O)C1CCCCC(=Cc2ccc(cc2)Cl)C1=O
InChI=1SC16H17ClO3c12016(19)14532412(15(14)18)10116813(17)9711h61014H25H21H3b1210+
methyl(3E)3((4chlorophenyl)methylidene)2oxocycloheptane1carboxylate
methyl(3E)3(4chlorobenzylidene)2oxocycloheptanecarboxylate
MFCD18184832
ZINC000051329882
ZINC000051329884
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