Vitas-M small molecule compound

2-(2-methyl-4-nitrophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294667
SMILES [O-][N+](=O)c1ccc(c(c1)C)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[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 C19H10N4O8 MW 422.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H10N4O8/c1-9-4-11(21(26)27)2-3-16(9)20-18(24)14-7-12(22(28)29)5-10-6-13(23(30)31)8-15(17(10)14)19(20)25/h2-8H,1H3
InChIKey
KXBRXDYQGWFFIK-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(c(c1)C)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
2(2methyl4nitrophenyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(2methyl4nitrophenyl)58dinitrobenzo(de)isoquinoline13dione
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H10N4O8c19411(21(26)27)2316(9)2018(24)14712(22(28)29)510613(23(30)31)815(17(10)14)19(20)25h28H1H3
MFCD00697324
ZINC000008444024
ZINC8444024

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Available files

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