Vitas-M small molecule compound
(2Z)-2-(azepan-1-ylcarbonyl)-3-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}prop-2-enenitrile
Catalog ID
STK322879
SMILES CCOc1cc(/C=C(\C(=O)N2CCCCCC2)/C#N)cc(c1OCc1ccccc1Cl)Br
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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 C25H26BrClN2O3 MW 517.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrClN2O3/c1-2-31-23-15-18(13-20(16-28)25(30)29-11-7-3-4-8-12-29)14-21(26)24(23)32-17-19-9-5-6-10-22(19)27/h5-6,9-10,13-15H,2-4,7-8,11-12,17H2,1H3/b20-13-InChIKey
AVRSEEKKFNHKHB-MOSHPQCFSA-NSynonyms
(2Z)2(azepan1ylcarbonyl)3(3bromo4((2chlorobenzyl)oxy)5ethoxyphenyl)prop2enenitrile
(Z)2(azepane1carbonyl)3(3bromo4((2chlorophenyl)methoxy)5ethoxyphenyl)prop2enenitrile
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCCCCC2)Br)OCC3=CC=CC=C3Cl
CCOc1cc(C=C(C(=O)N2CCCCCC2)C#N)cc(c1OCc1ccccc1Cl)Br
InChI=1SC25H26BrClN2O3c1231231518(1320(1628)25(30)291173481229)1421(26)24(23)3217199561022(19)27h569101315H2478111217H21H3b2013
MFCD06102661
ZINC000012655235
ZINC12655235
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