Vitas-M small molecule compound

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

Catalog ID
STL295135
SMILES Ic1ccc(cc1)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 C18H8IN3O6 MW 489.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H8IN3O6/c19-10-1-3-11(4-2-10)20-17(23)14-7-12(21(25)26)5-9-6-13(22(27)28)8-15(16(9)14)18(20)24/h1-8H
InChIKey
PALDCOXCCLIFHG-UHFFFAOYSA-N
Synonyms

2(4iodophenyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4IODOPHENYL)58DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC(=CC=C1N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O))I
Ic1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H8IN3O6c19101311(4210)2017(23)14712(21(25)26)59613(22(27)28)815(16(9)14)18(20)24h18H
MFCD00343889
ZINC000003075088
ZINC03075088
ZINC3075088

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Available files

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