Vitas-M small molecule compound

2-(2,3-dimethylcyclohexyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK083226
SMILES CC1CCCC(C1C)N1C(O)c2c(C1=O)cccc2

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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/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(17)19/h3-4,7-8,10-11,14-15,18H,5-6,9H2,1-2H3
InChIKey
IOPUUDZLANMLQA-UHFFFAOYSA-N
Synonyms

2(23DIMETHYLCYCLOHEXYL)3HYDROXY23DIHYDRO1HISOINDOL1ONE
2(23DIMETHYLCYCLOHEXYL)3HYDROXY3HISOINDOL1ONE
CC1CCCC(C1C)N1C(O)c2c(C1=O)cccc2
CC1CCCC(C1C)N2C(C3=CC=CC=C3C2=O)O
InChI=1SC16H21NO2c11065914(11(10)2)1715(18)12734813(12)16(17)19h34781011141518H569H212H3
MFCD06762701
STK083226
ZINC000004672226
ZINC000245253589

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Available files

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