Vitas-M small molecule compound

2-(3-acetylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK252736
SMILES O=C1N(c2cccc(c2)C(=O)C)C(=O)C2C1CCCC2

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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 C16H17NO3 MW 271.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3/c1-10(18)11-5-4-6-12(9-11)17-15(19)13-7-2-3-8-14(13)16(17)20/h4-6,9,13-14H,2-3,7-8H2,1H3
InChIKey
HBIXKSWWAGGIAC-UHFFFAOYSA-N
Synonyms
339021-77-1
(3AR7AR)2(3ACETYLPHENYL)HEXAHYDRO1HISOINDOLE13(2H)DIONE
2(3acetylphenyl)3a45677ahexahydroisoindole13dione
2(3ACETYLPHENYL)HEXAHYDRO1HISOINDOLE13(2H)DIONE
339021771
CC(=O)C1=CC(=CC=C1)N2C(=O)C3CCCCC3C2=O
InChI=1SC16H17NO3c110(18)1154612(911)1715(19)13723814(13)16(17)20h4691314H2378H21H3
MFCD00737516
ZINC000012364751
ZINC000100931098

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Available files

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