Vitas-M small molecule compound

2-(3-chloro-4-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK115466
SMILES CC1=CCC2C(C1)C(=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/c1-9-3-6-12-13(7-9)16(20)18(15(12)19)11-5-4-10(2)14(17)8-11/h3-5,8,12-13H,6-7H2,1-2H3
InChIKey
UJCBXISHYMRZJZ-UHFFFAOYSA-N
Synonyms

2(3CHLORO4METHYLPHENYL)5METHYL3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
2(3CHLORO4METHYLPHENYL)5METHYL3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
InChI=1SC16H16ClNO2c19361213(79)16(20)18(15(12)19)115410(2)14(17)811h3581213H67H212H3
MFCD02341912
ZINC000004690585
ZINC000101535579

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Available files

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