Vitas-M small molecule compound
ethyl 6-(4-chlorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STL191346
SMILES CCOC(=O)C1C(=O)C=C(CC1c1ccc(cc1)Cl)c1ccc(cc1)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 C22H21ClO3 MW 368.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClO3/c1-3-26-22(25)21-19(16-8-10-18(23)11-9-16)12-17(13-20(21)24)15-6-4-14(2)5-7-15/h4-11,13,19,21H,3,12H2,1-2H3InChIKey
ZGIZJVGAAUXZPS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl
ethyl6(4chlorophenyl)4(4methylphenyl)2oxocyclohex3ene1carboxylate
InChI=1SC22H21ClO3c132622(25)2119(1681018(23)11916)1217(1320(21)24)156414(2)5715h411131921H312H212H3
MFCD09121929
ZINC000012568325
ZINC000012568328
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