Vitas-M small molecule compound

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

Catalog ID
STK991857
SMILES COc1ccccc1N1C(=O)C2C(C1=O)CC(=C(C2)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 C17H19NO3 MW 285.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO3/c1-10-8-12-13(9-11(10)2)17(20)18(16(12)19)14-6-4-5-7-15(14)21-3/h4-7,12-13H,8-9H2,1-3H3
InChIKey
WHFZICHQZCSDRE-UHFFFAOYSA-N
Synonyms

2(2methoxyphenyl)56dimethyl3a477atetrahydro1Hisoindole13(2H)dione
2(2METHOXYPHENYL)56DIMETHYL3A477ATETRAHYDROISOINDOLE13DIONE
2(2METHOXYPHENYL)56DIMETHYL473A7ATETRAHYDROISOINDOLE13DIONE
CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC)C
InChI=1SC17H19NO3c11081213(911(10)2)17(20)18(16(12)19)14645715(14)213h471213H89H213H3
MFCD00617097
ZINC000013152696
ZINC000095544889

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Available files

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