Vitas-M small molecule compound
2-(4-bromo-3,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK253530
SMILES O=C1C2CC=CCC2C(=O)N1c1cc(C)c(c(c1)C)Br
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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 C16H16BrNO2 MW 334.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO2/c1-9-7-11(8-10(2)14(9)17)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-4,7-8,12-13H,5-6H2,1-2H3InChIKey
QABXOPSAHXPLOQ-UHFFFAOYSA-NSynonyms
2(4bromo35dimethylphenyl)3a477atetrahydro1Hisoindole13(2H)dione
2(4BROMO35DIMETHYLPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CC(=CC(=C1Br)C)N2C(=O)C3CC=CCC3C2=O
InChI=1SC16H16BrNO2c19711(810(2)14(9)17)1815(19)12534613(12)16(18)20h34781213H56H212H3
MFCD03349994
ZINC000013153686
ZINC000101510266
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