Vitas-M small molecule compound
2-(2,6-dimethylpyridin-3-yl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295091
SMILES Cc1ccc(c(n1)C)n1c(=O)c2ccc(c3c2c(c1=O)ccc3[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 C19H12N4O6 MW 392.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O6/c1-9-3-6-13(10(2)20-9)21-18(24)11-4-7-14(22(26)27)17-15(23(28)29)8-5-12(16(11)17)19(21)25/h3-8H,1-2H3InChIKey
UDCOOSWAPNRFOR-UHFFFAOYSA-NSynonyms
2(26dimethylpyridin3yl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(26dimethylpyridin3yl)67dinitrobenzo(de)isoquinoline13dione
CC1=NC(=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)C
Cc1ccc(c(n1)C)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H12N4O6c193613(10(2)209)2118(24)114714(22(26)27)1715(23(28)29)8512(16(11)17)19(21)25h38H12H3
MFCD28032883
ZINC000095470914
ZINC95470914
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