Vitas-M small molecule compound
2-({2-chloro-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-6-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK201497
SMILES CCOc1cc(/C=C(\c2cccc(c2)[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/c1-2-32-24-12-17(10-21(15-28)18-8-5-9-22(13-18)29(30)31)11-23(26)25(24)33-16-20-7-4-3-6-19(20)14-27/h3-13H,2,16H2,1H3/b21-10-InChIKey
SHIJHYGLTAIQNF-FBHDLOMBSA-NSynonyms
2((2CHLORO4((E)2CYANO2(3NITROPHENYL)ETHENYL)6ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)(N+)(=O)(O))Cl)OCC3=CC=CC=C3C#N
CCOc1cc(C=C(c2cccc(c2)(N+)(=O)(O))C#N)cc(c1OCc1ccccc1C#N)Cl
InChI=1SC25H18ClN3O4c1232241217(1021(1528)1885922(1318)29(30)31)1123(26)25(24)331620743619(20)1427h313H216H21H3b2110
MFCD05997827
ZINC000012393038
ZINC12393038
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