Vitas-M small molecule compound
butyl 4-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
Catalog ID
STL295656
SMILES CCCCOC(=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 C23H17N3O8 MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O8/c1-2-3-12-34-23(29)13-4-6-14(7-5-13)24-21(27)15-8-10-17(25(30)31)20-18(26(32)33)11-9-16(19(15)20)22(24)28/h4-11H,2-3,12H2,1H3InChIKey
ROBGGUDADVREPJ-UHFFFAOYSA-NSynonyms
butyl4(67dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzoate
butyl4(67dinitro13dioxobenzo(de)isoquinolin2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
CCCCOC(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC23H17N3O8c123123423(29)134614(7513)2421(27)1581017(25(30)31)2018(26(32)33)11916(19(15)20)22(24)28h411H2312H21H3
MFCD28033071
ZINC000095471067
ZINC95471067
Check stock
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