Vitas-M small molecule compound

methyl 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK248731
SMILES COC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

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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 C16H10N2O6 MW 326.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N2O6/c1-24-16(21)9-3-2-4-10(7-9)17-14(19)12-6-5-11(18(22)23)8-13(12)15(17)20/h2-8H,1H3
InChIKey
JKQFUIDOULTEAH-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
COC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC16H10N2O6c12416(21)932410(79)1714(19)126511(18(22)23)813(12)15(17)20h28H1H3
methyl3(5nitro13dioxo13dihydro2Hisoindol2yl)benzoate
METHYL3(5NITRO13DIOXOISOINDOL2YL)BENZOATE
MFCD00389501
ZINC000000191321
ZINC00191321
ZINC191321

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Available files

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