Vitas-M small molecule compound
(2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STK059352
SMILES N#C/C(=C\c1ccccc1OC)/C(=O)Nc1cc(ccc1Cl)[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 C17H12ClN3O4 MW 357.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O4/c1-25-16-5-3-2-4-11(16)8-12(10-19)17(22)20-15-9-13(21(23)24)6-7-14(15)18/h2-9H,1H3,(H,20,22)/b12-8+InChIKey
DPEMCSPXRVZGHR-XYOKQWHBSA-NSynonyms
345255-78-9(2E)N(2CHLORO5NITROPHENYL)2CYANO3(2METHOXYPHENYL)PROP2ENAMIDE
(E)N(2CHLORO5NITROPHENYL)2CYANO3(2METHOXYPHENYL)PROP2ENAMIDE
345255789
COC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl
InChI=1SC17H12ClN3O4c12516532411(16)812(1019)17(22)2015913(21(23)24)6714(15)18h29H1H3(H2022)b128+
MFCD02608493
N#CC(=Cc1ccccc1OC)C(=O)Nc1cc(ccc1Cl)(N+)(=O)(O)
STK059352
ZINC000002774388
ZINC02774388
ZINC2774388
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