Vitas-M small molecule compound

2-methyl-3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid

Catalog ID
STK276853
SMILES OC(=O)c1cccc(c1C)n1c(=O)c2cccc3c2c(c1=O)ccc3[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 C20H12N2O6 MW 376.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O6/c1-10-11(20(25)26)4-3-7-15(10)21-18(23)13-6-2-5-12-16(22(27)28)9-8-14(17(12)13)19(21)24/h2-9H,1H3,(H,25,26)
InChIKey
JCHCZSNKUHUWCJ-UHFFFAOYSA-N
Synonyms

2methyl3(6nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzoicacid
2METHYL3(6NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BENZOICACID
CC1=C(C=CC=C1N2C(=O)C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=C4C2=O)C(=O)O
InChI=1SC20H12N2O6c11011(20(25)26)43715(10)2118(23)136251216(22(27)28)9814(17(12)13)19(21)24h29H1H3(H2526)
MFCD03900224
OC(=O)c1cccc(c1C)n1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O)
ZINC000001074782
ZINC1074782

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Available files

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