Vitas-M small molecule compound

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

Catalog ID
STL294669
SMILES [O-][N+](=O)c1cc2cc(cc3c2c(c1)c(=O)n(c3=O)Cc1ccccc1)[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 C19H11N3O6 MW 377.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11N3O6/c23-18-15-8-13(21(25)26)6-12-7-14(22(27)28)9-16(17(12)15)19(24)20(18)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
OIBLSHVPZLTPOX-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2cc(cc3c2c(c1)c(=O)n(c3=O)Cc1ccccc1)(N+)(=O)(O)
2benzyl58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2BENZYL58DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC=C(C=C1)CN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H11N3O6c231815813(21(25)26)612714(22(27)28)916(17(12)15)19(24)20(18)10114213511h19H10H2
MFCD00349170
ZINC000004421030
ZINC04421030
ZINC4421030

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Available files

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