Vitas-M small molecule compound
(2E)-2-cyano-N-methyl-3-{4-[(5-nitropyridin-2-yl)oxy]phenyl}prop-2-enamide
Catalog ID
STK180165
SMILES N#C/C(=C\c1ccc(cc1)Oc1ccc(cn1)[N+](=O)[O-])/C(=O)NC
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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 C16H12N4O4 MW 324.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O4/c1-18-16(21)12(9-17)8-11-2-5-14(6-3-11)24-15-7-4-13(10-19-15)20(22)23/h2-8,10H,1H3,(H,18,21)/b12-8+InChIKey
KTZWPBHLJKVHFB-XYOKQWHBSA-NSynonyms
(2E)2CYANONMETHYL3(4((5NITROPYRIDIN2YL)OXY)PHENYL)PROP2ENAMIDE
(E)2CYANONMETHYL3(4(5NITROPYRIDIN2YL)OXYPHENYL)PROP2ENAMIDE
CNC(=O)C(=CC1=CC=C(C=C1)OC2=NC=C(C=C2)(N+)(=O)(O))C#N
InChI=1SC16H12N4O4c11816(21)12(917)8112514(6311)24157413(101915)20(22)23h2810H1H3(H1821)b128+
MFCD04599476
N#CC(=Cc1ccc(cc1)Oc1ccc(cn1)(N+)(=O)(O))C(=O)NC
ZINC000004705172
ZINC04705172
ZINC4705172
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