Vitas-M small molecule compound

4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-methylbenzenesulfonamide

Catalog ID
STK748676
SMILES CNS(=O)(=O)c1ccc(cc1)n1c(=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 C19H12N4O8S MW 456.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O8S/c1-20-32(30,31)14-4-2-11(3-5-14)21-18(24)15-8-12(22(26)27)6-10-7-13(23(28)29)9-16(17(10)15)19(21)25/h2-9,20H,1H3
InChIKey
HJJXZUNIYAFGTD-UHFFFAOYSA-N
Synonyms

4(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)Nmethylbenzenesulfonamide
4(58DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)NMETHYLBENZENESULFONAMIDE
CNS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
CNS(=O)(=O)c1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H12N4O8Sc12032(3031)144211(3514)2118(24)15812(22(26)27)610713(23(28)29)916(17(10)15)19(21)25h2920H1H3
MFCD00659997
ZINC000003044956
ZINC03044956
ZINC3044956

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Available files

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