Vitas-M small molecule compound
2-(2-iodophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294643
SMILES Ic1ccccc1n1c(=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 C18H8IN3O6 MW 489.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H8IN3O6/c19-14-3-1-2-4-15(14)20-17(23)12-7-10(21(25)26)5-9-6-11(22(27)28)8-13(16(9)12)18(20)24/h1-8HInChIKey
SIUIOBYWFSVAEO-UHFFFAOYSA-NSynonyms
2(2iodophenyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(2iodophenyl)58dinitrobenzo(de)isoquinoline13dione
C1=CC=C(C(=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O))I
Ic1ccccc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H8IN3O6c1914312415(14)2017(23)12710(21(25)26)59611(22(27)28)813(16(9)12)18(20)24h18H
MFCD00343890
ZINC000095470749
ZINC95470749
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