Vitas-M small molecule compound

2-(3,4-dimethylphenyl)-4,7-dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

Catalog ID
STL387176
SMILES O=C1N(c2ccc(c(c2)C)C)C(=O)C2C1C1(C)C=CC2(O1)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 C18H19NO3 MW 297.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3/c1-10-5-6-12(9-11(10)2)19-15(20)13-14(16(19)21)18(4)8-7-17(13,3)22-18/h5-9,13-14H,1-4H3
InChIKey
DXVZXQJGPYYTCS-UHFFFAOYSA-N
Synonyms

2(34dimethylphenyl)47dimethyl3a477atetrahydro1H47epoxyisoindole13(2H)dione
2(34dimethylphenyl)47dimethyl3a7adihydrooctahydro1H47epoxyisoindole13dione
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C=CC3(O4)C)C)C
InChI=1SC18H19NO3c1105612(911(10)2)1915(20)1314(16(19)21)18(4)8717(133)2218h591314H14H3
MFCD01067476
ZINC000226627985
ZINC000226627995

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Available files

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