Vitas-M small molecule compound
3-[(3,4-dimethylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK014027
SMILES O=C1C=C(Nc2ccc(c(c2)C)C)CC(C1)(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 C16H21NO MW 243.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO/c1-11-5-6-13(7-12(11)2)17-14-8-15(18)10-16(3,4)9-14/h5-8,17H,9-10H2,1-4H3InChIKey
NUWDOBHDAOIZDT-UHFFFAOYSA-NSynonyms
3((34DIMETHYLPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(34DIMETHYLANILINO)55DIMETHYL1CYCLOHEX2ENONE
3(34DIMETHYLANILINO)55DIMETHYLCYCLOHEX2EN1ONE
3(34DIMETHYLPHENYLAMINO)55DIMETHYLCYCLOHEX2ENONE
CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)C
InChI=1SC16H21NOc1115613(712(11)2)1714815(18)1016(34)914h5817H910H214H3
MFCD00297585
O=C1C=C(Nc2ccc(c(c2)C)C)CC(C1)(C)C
STK014027
ZINC000000186173
ZINC00186173
ZINC186173
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