Vitas-M small molecule compound
4-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Catalog ID
STK670489
SMILES OC(=O)c1ccc(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 C19H9N3O8 MW 407.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H9N3O8/c23-17-11-5-7-13(21(27)28)16-14(22(29)30)8-6-12(15(11)16)18(24)20(17)10-3-1-9(2-4-10)19(25)26/h1-8H,(H,25,26)InChIKey
ULKHICZTGYOSCK-UHFFFAOYSA-NSynonyms
4(67dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzoicacid
4(67DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BENZOICACID
C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
InChI=1SC19H9N3O8c2317115713(21(27)28)1614(22(29)30)8612(15(11)16)18(24)20(17)10319(2410)19(25)26h18H(H2526)
MFCD00339179
OC(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000015133478
ZINC15133478
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