Vitas-M small molecule compound
3-bromo-N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamide
Catalog ID
STL295127
SMILES Brc1cccc(c1)C(=O)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[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 C19H9BrN4O7 MW 485.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H9BrN4O7/c20-11-3-1-2-9(4-11)17(25)21-22-18(26)14-7-12(23(28)29)5-10-6-13(24(30)31)8-15(16(10)14)19(22)27/h1-8H,(H,21,25)InChIKey
PGJQJDMRNQLHQQ-UHFFFAOYSA-NSynonyms
3bromoN(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzamide
3bromoN(58dinitro13dioxobenzo(de)isoquinolin2yl)benzamide
Brc1cccc(c1)C(=O)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
C1=CC(=CC(=C1)Br)C(=O)NN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H9BrN4O7c20113129(411)17(25)212218(26)14712(23(28)29)510613(24(30)31)815(16(10)14)19(22)27h18H(H2125)
MFCD00697455
ZINC000095470921
ZINC95470921
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