Vitas-M small molecule compound

2-benzyl-3-[(2,3-dimethylcyclohexyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK051457
SMILES CC1CCCC(C1C)NC1N(Cc2ccccc2)C(=O)C2=C1CCCC2

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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 C23H32N2O MW 352.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O/c1-16-9-8-14-21(17(16)2)24-22-19-12-6-7-13-20(19)23(26)25(22)15-18-10-4-3-5-11-18/h3-5,10-11,16-17,21-22,24H,6-9,12-15H2,1-2H3
InChIKey
RROFHMUQHXNYJT-UHFFFAOYSA-N
Synonyms

2benzyl3((23dimethylcyclohexyl)amino)234567hexahydro1Hisoindol1one
2benzyl3((23dimethylcyclohexyl)amino)4567tetrahydro3Hisoindol1one
CC1CCCC(C1C)NC1N(Cc2ccccc2)C(=O)C2=C1CCCC2
CC1CCCC(C1C)NC2C3=C(CCCC3)C(=O)N2CC4=CC=CC=C4
InChI=1SC23H32N2Oc116981421(17(16)2)24221912671320(19)23(26)25(22)1518104351118h3510111617212224H691215H212H3
MFCD03033097
STK051457
ZINC000020130471
ZINC000245253913

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Available files

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