Vitas-M small molecule compound

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

Catalog ID
STL295132
SMILES Clc1ccc(nc1)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 C17H7ClN4O6 MW 398.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H7ClN4O6/c18-9-1-2-14(19-7-9)20-16(23)12-5-10(21(25)26)3-8-4-11(22(27)28)6-13(15(8)12)17(20)24/h1-7H
InChIKey
WVSCQNJFBAJNEN-UHFFFAOYSA-N
Synonyms

2(5chloropyridin2yl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(5chloropyridin2yl)58dinitrobenzo(de)isoquinoline13dione
C1=CC(=NC=C1Cl)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
Clc1ccc(nc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H7ClN4O6c1891214(1979)2016(23)12510(21(25)26)38411(22(27)28)613(15(8)12)17(20)24h17H
MFCD00343895
ZINC000095470924
ZINC95470924

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Available files

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