Vitas-M small molecule compound
4-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-hydroxyethyl)benzenesulfonamide
Catalog ID
STL295093
SMILES OCCNS(=O)(=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 C20H14N4O9S MW 486.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O9S/c25-10-9-21-34(32,33)12-3-1-11(2-4-12)22-19(26)13-5-7-15(23(28)29)18-16(24(30)31)8-6-14(17(13)18)20(22)27/h1-8,21,25H,9-10H2InChIKey
JCMVDXLLBMZZJP-UHFFFAOYSA-NSynonyms
4(67dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(2hydroxyethyl)benzenesulfonamide
4(67dinitro13dioxobenzo(de)isoquinolin2yl)N(2hydroxyethyl)benzenesulfonamide
C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)S(=O)(=O)NCCO
InChI=1SC20H14N4O9Sc251092134(3233)123111(2412)2219(26)135715(23(28)29)1816(24(30)31)8614(17(13)18)20(22)27h182125H910H2
MFCD00659939
OCCNS(=O)(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000095470916
ZINC95470916
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