Vitas-M small molecule compound

3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate

Catalog ID
STK731643
SMILES CC(=O)Oc1cccc(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/c1-9(19)24-12-4-2-3-10(7-12)17-15(20)13-6-5-11(18(22)23)8-14(13)16(17)21/h2-8H,1H3
InChIKey
KUOOSKMIDBCWBH-UHFFFAOYSA-N
Synonyms

(3(5NITRO13DIOXOISOINDOL2YL)PHENYL)ACETATE
3(5nitro13dioxo13dihydro2Hisoindol2yl)phenylacetate
ACETICACID3(5NITRO13DIOXO13DIHYDROISOINDOL2YL)PHENYLESTER
CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
CC(=O)Oc1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC16H10N2O6c19(19)241242310(712)1715(20)136511(18(22)23)814(13)16(17)21h28H1H3
MFCD00391790
ZINC000000353711
ZINC00353711
ZINC353711

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Available files

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