Vitas-M small molecule compound
methyl 4-(benzylamino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STL484945
SMILES CCCC(=O)C1=C(NCc2ccccc2)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/c1-5-9-16(23)17-15(22-13-14-10-7-6-8-11-14)12-21(2,3)18(19(17)24)20(25)26-4/h6-8,10-11,18,22H,5,9,12-13H2,1-4H3InChIKey
MZFASIGMPLMMFN-UHFFFAOYSA-NSynonyms
4BENZYLAMINO3BUTYRYL66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLICACIDMETHYL
4BENZYLAMINO3BUTYRYL66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLICACIDMETHYLESTER
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC2=CC=CC=C2
InChI=1SC21H27NO4c15916(23)1715(221314107681114)1221(23)18(19(17)24)20(25)264h6810111822H591213H214H3
METHYL3BUTANOYL66DIMETHYL2OXO4(BENZYLAMINO)CYCLOHEX3ENECARBOXYLATE
METHYL4(BENZYLAMINO)3BUTANOYL66DIMETHYL2OXOCYCLOHEX3ENE1CARBOXYLATE
methyl4(benzylamino)3butyryl66dimethyl2oxocyclohex3enecarboxylate
MFCD00512875
ZINC000100319008
ZINC000100319011
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