Vitas-M small molecule compound
methyl 3-butanoyl-6,6-dimethyl-4-[(4-methylphenyl)amino]-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STK806072
SMILES CCCC(=O)C1=C(Nc2ccc(cc2)C)CC(C(C1=O)C(=O)OC)(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 C21H27NO4 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4/c1-6-7-16(23)17-15(22-14-10-8-13(2)9-11-14)12-21(3,4)18(19(17)24)20(25)26-5/h8-11,18,22H,6-7,12H2,1-5H3InChIKey
GRUWUNXUKKHSRB-UHFFFAOYSA-NSynonyms
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)C
InChI=1SC21H27NO4c16716(23)1715(221410813(2)91114)1221(34)18(19(17)24)20(25)265h8111822H6712H215H3
methyl3butanoyl66dimethyl4((4methylphenyl)amino)2oxocyclohex3ene1carboxylate
METHYL3BUTANOYL66DIMETHYL4((4METHYLPHENYL)AMINO)2OXOCYCLOHEX3ENECARBOXYLATE
METHYL3BUTANOYL66DIMETHYL4(4METHYLANILINO)2OXOCYCLOHEX3ENE1CARBOXYLATE
methyl3butyryl66dimethyl2oxo4(ptolylamino)cyclohex3enecarboxylate
MFCD00512896
ZINC000100319523
ZINC000100319528
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