Vitas-M small molecule compound
4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-hydroxyethyl)benzenesulfonamide
Catalog ID
STL295138
SMILES OCCNS(=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 C20H14N4O9S MW 486.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O9S/c25-6-5-21-34(32,33)15-3-1-12(2-4-15)22-19(26)16-9-13(23(28)29)7-11-8-14(24(30)31)10-17(18(11)16)20(22)27/h1-4,7-10,21,25H,5-6H2InChIKey
GHRWOJWIXODWKQ-UHFFFAOYSA-NSynonyms
4(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(2hydroxyethyl)benzenesulfonamide
4(58dinitro13dioxobenzo(de)isoquinolin2yl)N(2hydroxyethyl)benzenesulfonamide
C1=CC(=CC=C1N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O))S(=O)(=O)NCCO
InChI=1SC20H14N4O9Sc25652134(3233)153112(2415)2219(26)16913(23(28)29)711814(24(30)31)1017(18(11)16)20(22)27h147102125H56H2
MFCD00659977
OCCNS(=O)(=O)c1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
ZINC000095470925
ZINC95470925
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