Vitas-M small molecule compound
4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-methoxyphenyl)benzenesulfonamide
Catalog ID
STK669480
SMILES COc1ccc(cc1)NS(=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 C25H16N4O9S MW 548.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16N4O9S/c1-38-19-6-2-15(3-7-19)26-39(36,37)20-8-4-16(5-9-20)27-24(30)21-12-17(28(32)33)10-14-11-18(29(34)35)13-22(23(14)21)25(27)31/h2-13,26H,1H3InChIKey
ZJYKGQXTXPLLIW-UHFFFAOYSA-NSynonyms
4(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(4methoxyphenyl)benzenesulfonamide
4(58DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)N(4METHOXYPHENYL)BENZENESULFONAMIDE
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC25H16N4O9Sc138196215(3719)2639(3637)208416(5920)2724(30)211217(28(32)33)10141118(29(34)35)1322(23(14)21)25(27)31h21326H1H3
MFCD00659985
ZINC000003044944
ZINC3044944
Check stock
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Check stock on Vitas-MAvailable files
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