Vitas-M small molecule compound
methyl 3-butanoyl-6,6-dimethyl-4-[methyl(phenyl)amino]-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STL297489
SMILES CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N(c1ccccc1)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/c1-6-10-16(23)17-15(22(4)14-11-8-7-9-12-14)13-21(2,3)18(19(17)24)20(25)26-5/h7-9,11-12,18H,6,10,13H2,1-5H3InChIKey
SRSDGAYLPAGFRJ-UHFFFAOYSA-NSynonyms
300834-01-9300834019
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N(C)C2=CC=CC=C2
InChI=1SC21H27NO4c161016(23)1715(22(4)14118791214)1321(23)18(19(17)24)20(25)265h79111218H61013H215H3
methyl3butanoyl66dimethyl4(methyl(phenyl)amino)2oxocyclohex3ene1carboxylate
METHYL3BUTANOYL66DIMETHYL4(NMETHYLANILINO)2OXOCYCLOHEX3ENE1CARBOXYLATE
methyl3butyryl66dimethyl4(methyl(phenyl)amino)2oxocyclohex3enecarboxylate
MFCD00512881
ZINC000001234019
ZINC000001234020
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