Vitas-M small molecule compound

3-[(3,5-dimethoxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK143139
SMILES COc1cc(NC2=CC(=O)CC(C2)(C)C)cc(c1)OC

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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 C16H21NO3 MW 275.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO3/c1-16(2)9-12(5-13(18)10-16)17-11-6-14(19-3)8-15(7-11)20-4/h5-8,17H,9-10H2,1-4H3
InChIKey
QNQFSLHZLARUCD-UHFFFAOYSA-N
Synonyms

3((35DIMETHOXYPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(35DIMETHOXYANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=CC(=O)C1)NC2=CC(=CC(=C2)OC)OC)C
InChI=1SC16H21NO3c116(2)912(513(18)1016)1711614(193)815(711)204h5817H910H214H3
MFCD03144567
ZINC000018250810
ZINC18250810

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Available files

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