Vitas-M small molecule compound

2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK391663
SMILES CC(=O)c1cccc(c1)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 C16H10N2O5 MW 310.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N2O5/c1-9(19)10-4-2-5-11(8-10)17-15(20)12-6-3-7-13(18(22)23)14(12)16(17)21/h2-8H,1H3
InChIKey
KEMLYJWTBFYUFP-UHFFFAOYSA-N
Synonyms
302953-50-0
1ACETYL3(4NITRO13DIOXOBENZO(C)AZOLIN2YL)BENZENE
2(3acetylphenyl)4nitro1Hisoindole13(2H)dione
2(3ACETYLPHENYL)4NITROISOINDOLE13DIONE
2(3ACETYLPHENYL)4NITROISOINDOLINE13DIONE
302953500
CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
CC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC16H10N2O5c19(19)1042511(810)1715(20)1263713(18(22)23)14(12)16(17)21h28H1H3
MFCD00628199
ZINC000000353887
ZINC00353887
ZINC353887

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Available files

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