Vitas-M small molecule compound

methyl 3-butanoyl-4-[(4-methoxyphenyl)amino]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate

Catalog ID
STL297491
SMILES CCCC(=O)C1=C(Nc2ccc(cc2)OC)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 C21H27NO5 MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5/c1-6-7-16(23)17-15(22-13-8-10-14(26-4)11-9-13)12-21(2,3)18(19(17)24)20(25)27-5/h8-11,18,22H,6-7,12H2,1-5H3
InChIKey
DNFKBYCAPZYEPB-UHFFFAOYSA-N
Synonyms

3BUTYRYL4(4METHOXYPHENYLAMINO)66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLIC
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)OC
InChI=1SC21H27NO5c16716(23)1715(221381014(264)11913)1221(23)18(19(17)24)20(25)275h8111822H6712H215H3
methyl3butanoyl4((4methoxyphenyl)amino)66dimethyl2oxocyclohex3ene1carboxylate
METHYL3BUTANOYL4((4METHOXYPHENYL)AMINO)66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLATE
METHYL3BUTANOYL4(4METHOXYANILINO)66DIMETHYL2OXOCYCLOHEX3ENE1CARBOXYLATE
methyl3butyryl4((4methoxyphenyl)amino)66dimethyl2oxocyclohex3enecarboxylate
MFCD00512884
ZINC000100319280
ZINC000100319282

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Available files

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