Vitas-M small molecule compound

2-(5-acetyl-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

Catalog ID
STK727593
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1OC2C=C1)C(=O)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 C17H15NO5 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO5/c1-8(19)9-3-4-11(22-2)10(7-9)18-16(20)14-12-5-6-13(23-12)15(14)17(18)21/h3-7,12-15H,1-2H3
InChIKey
KONWAFWYYOOUOD-UHFFFAOYSA-N
Synonyms

2(5acetyl2methoxyphenyl)3a477atetrahydro1H47epoxyisoindole13(2H)dione
2(5acetyl2methoxyphenyl)3a477atetrahydrooctahydro1H47epoxyisoindole13dione
CC(=O)C1=CC(=C(C=C1)OC)N2C(=O)C3C4C=CC(C3C2=O)O4
InChI=1SC17H15NO5c18(19)93411(222)10(79)1816(20)14125613(2312)15(14)17(18)21h371215H12H3
MFCD01460858
ZINC000101359530
ZINC000101359541

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Available files

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