Vitas-M small molecule compound

3-[(4-methoxybenzyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK048160
SMILES COc1ccc(cc1)CNC1=CC(=O)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 C16H21NO2 MW 259.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO2/c1-16(2)9-13(8-14(18)10-16)17-11-12-4-6-15(19-3)7-5-12/h4-8,17H,9-11H2,1-3H3
InChIKey
JQABLZUMIRSMET-UHFFFAOYSA-N
Synonyms
258877-54-2
258877542
3((4METHOXYBENZYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3((4methoxybenzyl)amino)55dimethylcyclohex2enone
3((4METHOXYPHENYL)METHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=CC(=O)C1)NCC2=CC=C(C=C2)OC)C
COc1ccc(cc1)CNC1=CC(=O)CC(C1)(C)C
InChI=1SC16H21NO2c116(2)913(814(18)1016)1711124615(193)7512h4817H911H213H3
MFCD00813256
STK048160
ZINC000006530841
ZINC06530841
ZINC6530841

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.