Vitas-M small molecule compound
2-(3-chloro-4-methylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK252857
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C16H16ClNO2 MW 289.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClNO2/c1-9-6-7-11(8-13(9)17)18-15(19)12-5-3-4-10(2)14(12)16(18)20/h3-4,6-8,10,12,14H,5H2,1-2H3InChIKey
YJYBJJNQNDWZSY-UHFFFAOYSA-NSynonyms
2(3chloro4methylphenyl)4methyl3a477atetrahydro1Hisoindole13(2H)dione
2(3CHLORO4METHYLPHENYL)4METHYL3A477ATETRAHYDROISOINDOLE13DIONE
CC1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
InChI=1SC16H16ClNO2c196711(813(9)17)1815(19)1253410(2)14(12)16(18)20h3468101214H5H212H3
MFCD01798801
ZINC000017022314
ZINC000102592350
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