Vitas-M small molecule compound

methyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK360259
SMILES COC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2[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)9-5-7-10(8-6-9)17-14(19)11-3-2-4-12(18(22)23)13(11)15(17)20/h2-8H,1H3
InChIKey
ZEZJYJVWJSWPOF-UHFFFAOYSA-N
Synonyms
209462-99-7
209462997
COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
COC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC16H10N2O6c12416(21)95710(869)1714(19)1132412(18(22)23)13(11)15(17)20h28H1H3
methyl4(4nitro13dioxo13dihydro2Hisoindol2yl)benzoate
METHYL4(4NITRO13DIOXOISOINDOL2YL)BENZOATE
methyl4(4nitro13dioxoisoindolin2yl)benzoate
MFCD00391806
ZINC000000285205
ZINC00285205
ZINC285205

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Available files

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