Vitas-M small molecule compound

2-(1-oxo-1-phenylpropan-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK665822
SMILES CC(C(=O)c1ccccc1)N1C(=O)C2C(C1=O)CC=CC2

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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 C17H17NO3 MW 283.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-8,11,13-14H,9-10H2,1H3
InChIKey
PYCJEWJDGFFTPO-UHFFFAOYSA-N
Synonyms

2(1METHYL2OXO2PHENYLETHYL)473A7ATETRAHYDROISOINDOLE13DIONE
2(1oxo1phenylpropan2yl)3a477atetrahydro1Hisoindole13(2H)dione
2(1oxo1phenylpropan2yl)3a477atetrahydroisoindole13dione
CC(C(=O)C1=CC=CC=C1)N2C(=O)C3CC=CCC3C2=O
InChI=1SC17H17NO3c111(15(19)127324812)1816(20)139561014(13)17(18)21h28111314H910H21H3
MFCD12034001
ZINC000015108763
ZINC000242620204

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Available files

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