Vitas-M small molecule compound

2-(4-acetylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK252569
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)C(=O)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 C17H19NO3 MW 285.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO3/c1-10-3-8-14-15(9-10)17(21)18(16(14)20)13-6-4-12(5-7-13)11(2)19/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKey
LIFDKVOAEFAFNW-UHFFFAOYSA-N
Synonyms

(3AR5R7AS)2(4ACETYLPHENYL)5METHYLHEXAHYDRO1HISOINDOLE13(2H)DIONE
2(4acetylphenyl)5methyl3a45677ahexahydroisoindole13dione
2(4ACETYLPHENYL)5METHYLHEXAHYDRO1HISOINDOLE13(2H)DIONE
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)C
InChI=1SC17H19NO3c110381415(910)17(21)18(16(14)20)136412(5713)11(2)19h47101415H389H212H3
MFCD02020293
ZINC000004592975
ZINC000169618799

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Available files

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