Vitas-M small molecule compound
methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-[(2-phenylethyl)amino]cyclohex-3-ene-1-carboxylate
Catalog ID
STK530220
SMILES CCCC(=O)C1=C(NCCc2ccccc2)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 C22H29NO4 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO4/c1-5-9-17(24)18-16(23-13-12-15-10-7-6-8-11-15)14-22(2,3)19(20(18)25)21(26)27-4/h6-8,10-11,19,23H,5,9,12-14H2,1-4H3InChIKey
QZTKJGQYKUURPU-UHFFFAOYSA-NSynonyms
3BUTYRYL66DIMETHYL2OXO4PHENETHYLAMINOCYCLOHEX3ENECARBOXYLICACIDMETHYLESTER
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC=CC=C2
InChI=1SC22H29NO4c15917(24)1816(23131215107681115)1422(23)19(20(18)25)21(26)274h6810111923H591214H214H3
methyl3butanoyl66dimethyl2oxo4((2phenylethyl)amino)cyclohex3ene1carboxylate
methyl3butanoyl66dimethyl2oxo4(2phenylethylamino)cyclohex3ene1carboxylate
METHYL3BUTANOYL66DIMETHYL2OXO4(PHENETHYLAMINO)CYCLOHEX3ENE1CARBOXYLATE
methyl3butyryl66dimethyl2oxo4(phenethylamino)cyclohex3enecarboxylate
MFCD00512889
ZINC000000805838
ZINC000000805839
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