Vitas-M small molecule compound

4-(hydroxymethyl)-2-(3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

Catalog ID
STL417465
SMILES OCC12C=CC(O1)C1C2C(=O)N(C1=O)c1cccc(c1)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 C16H15NO4 MW 285.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO4/c1-9-3-2-4-10(7-9)17-14(19)12-11-5-6-16(8-18,21-11)13(12)15(17)20/h2-7,11-13,18H,8H2,1H3
InChIKey
BMZYEQKNCJNHEB-UHFFFAOYSA-N
Synonyms

4(hydroxymethyl)2(3methylphenyl)3a477atetrahydro1H47epoxyisoindole13(2H)dione
7(hydroxymethyl)2(3methylphenyl)47adihydro3aHoctahydro1H47epoxyisoindole13dione
CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO
InChI=1SC16H15NO4c1932410(79)1714(19)12115616(8182111)13(12)15(17)20h27111318H8H21H3
MFCD00750686
ZINC000101357440
ZINC000245226546

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Available files

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