Vitas-M small molecule compound

2-(2-chlorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK991862
SMILES O=C1C2CC(=C(CC2C(=O)N1c1ccccc1Cl)C)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/c1-9-7-11-12(8-10(9)2)16(20)18(15(11)19)14-6-4-3-5-13(14)17/h3-6,11-12H,7-8H2,1-2H3
InChIKey
CRFQGQMFEJWQPP-UHFFFAOYSA-N
Synonyms

2(2CHLOROPHENYL)56DIMETHYL233A477AHEXAHYDRO1HISOINDOLE13DIONE
2(2chlorophenyl)56dimethyl3a477atetrahydro1Hisoindole13(2H)dione
2(2CHLOROPHENYL)56DIMETHYL3A477ATETRAHYDROISOINDOLE13DIONE
2(2CHLOROPHENYL)56DIMETHYL473A7ATETRAHYDROISOINDOLE13DIONE
CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3Cl)C
InChI=1SC16H16ClNO2c1971112(810(9)2)16(20)18(15(11)19)14643513(14)17h361112H78H212H3
MFCD00617123
ZINC000013550575
ZINC000100513054

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Available files

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