Vitas-M small molecule compound

2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK750445
SMILES Oc1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3[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 C18H9N3O7 MW 379.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H9N3O7/c22-10-3-1-9(2-4-10)19-17(23)11-5-7-13(20(25)26)16-14(21(27)28)8-6-12(15(11)16)18(19)24/h1-8,22H
InChIKey
PJGIJGCNJYIPSD-UHFFFAOYSA-N
Synonyms

2(4hydroxyphenyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4HYDROXYPHENYL)67DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)O
InChI=1SC18H9N3O7c2210319(2410)1917(23)115713(20(25)26)1614(21(27)28)8612(15(11)16)18(19)24h1822H
MFCD00349154
Oc1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000003158525
ZINC03158525
ZINC3158525

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Available files

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