Vitas-M small molecule compound
3-[(2,5-dimethylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK795665
SMILES O=C1C=C(Nc2cc(C)ccc2C)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/c1-11-5-6-12(2)15(7-11)17-13-8-14(18)10-16(3,4)9-13/h5-8,17H,9-10H2,1-4H3InChIKey
DYAKRPZVKXIRGA-UHFFFAOYSA-NSynonyms
3((25DIMETHYLPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(25DIMETHYLANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1=CC(=C(C=C1)C)NC2=CC(=O)CC(C2)(C)C
InChI=1SC16H21NOc1115612(2)15(711)1713814(18)1016(34)913h5817H910H214H3
MFCD00500203
ZINC000000051427
ZINC00051427
ZINC51427
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