Vitas-M small molecule compound
methyl 3-butanoyl-6,6-dimethyl-4-[(2-methylphenyl)amino]-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STL326781
SMILES CCCC(=O)C1=C(Nc2ccccc2C)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/c1-6-9-16(23)17-15(22-14-11-8-7-10-13(14)2)12-21(3,4)18(19(17)24)20(25)26-5/h7-8,10-11,18,22H,6,9,12H2,1-5H3InChIKey
MBEZIZKGGBBAJC-UHFFFAOYSA-NSynonyms
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2C
InChI=1SC21H27NO4c16916(23)1715(221411871013(14)2)1221(34)18(19(17)24)20(25)265h7810111822H6912H215H3
methyl3butanoyl66dimethyl4((2methylphenyl)amino)2oxocyclohex3ene1carboxylate
METHYL3BUTANOYL66DIMETHYL4(2METHYLANILINO)2OXOCYCLOHEX3ENE1CARBOXYLATE
methyl3butyryl66dimethyl2oxo4(otolylamino)cyclohex3enecarboxylate
MFCD00512888
ZINC000000805836
ZINC000000805837
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