Vitas-M small molecule compound
2-({2-chloro-4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]-6-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK195891
SMILES CCOc1cc(/C=C(\c2ccc(cc2)[N+](=O)[O-])/C#N)cc(c1OCc1ccccc1C#N)Cl
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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 C25H18ClN3O4 MW 459.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O4/c1-2-32-24-13-17(11-21(15-28)18-7-9-22(10-8-18)29(30)31)12-23(26)25(24)33-16-20-6-4-3-5-19(20)14-27/h3-13H,2,16H2,1H3/b21-11-InChIKey
AEGLVCOPKXJULT-NHDPSOOVSA-NSynonyms
2((2CHLORO4((E)2CYANO2(4NITROPHENYL)ETHENYL)6ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))Cl)OCC3=CC=CC=C3C#N
CCOc1cc(C=C(c2ccc(cc2)(N+)(=O)(O))C#N)cc(c1OCc1ccccc1C#N)Cl
InChI=1SC25H18ClN3O4c1232241317(1121(1528)187922(10818)29(30)31)1223(26)25(24)331620643519(20)1427h313H216H21H3b2111
MFCD05987547
ZINC000012363462
ZINC12363462
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