Vitas-M small molecule compound

6-(dimethylamino)-2-(4-ethoxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL419378
SMILES CCOc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3N(C)C)[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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c1-4-30-14-10-8-13(9-11-14)24-21(26)16-7-5-6-15-19(16)17(22(24)27)12-18(25(28)29)20(15)23(2)3/h5-12H,4H2,1-3H3
InChIKey
LJWPVQVPROVJDE-UHFFFAOYSA-N
Synonyms

6(dimethylamino)2(4ethoxyphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6(dimethylamino)2(4ethoxyphenyl)5nitrobenzo(de)isoquinoline13dione
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N(C)C)(N+)(=O)(O))C2=O
CCOc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3N(C)C)(N+)(=O)(O)
InChI=1SC22H19N3O5c14301410813(91114)2421(26)167561519(16)17(22(24)27)1218(25(28)29)20(15)23(2)3h512H4H213H3
MFCD05625774
ZINC000059116464
ZINC59116464

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Available files

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