Vitas-M small molecule compound
{2-bromo-4-[(Z)-2-cyano-2-(5-methoxy-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy}acetic acid
Catalog ID
STK201878
SMILES CCOc1cc(cc(c1OCC(=O)O)Br)/C=C(\c1[nH]c2c(n1)cc(cc2)OC)/C#N
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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 C21H18BrN3O5 MW 472.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O5/c1-3-29-18-8-12(7-15(22)20(18)30-11-19(26)27)6-13(10-23)21-24-16-5-4-14(28-2)9-17(16)25-21/h4-9H,3,11H2,1-2H3,(H,24,25)(H,26,27)/b13-6-InChIKey
JVIZRYFAYNHLFR-MLPAPPSSSA-NSynonyms
(2BROMO4((Z)2CYANO2(5METHOXY1HBENZIMIDAZOL2YL)ETHENYL)6ETHOXYPHENOXY)ACETICACID
2(2BROMO4((Z)2CYANO2(6METHOXY1HBENZIMIDAZOL2YL)ETHENYL)6ETHOXYPHENOXY)ACETICACID
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)OC)Br)OCC(=O)O
CCOc1cc(cc(c1OCC(=O)O)Br)C=C(c1(nH)c2c(n1)cc(cc2)OC)C#N
InChI=1SC21H18BrN3O5c132918812(715(22)20(18)301119(26)27)613(1023)2124165414(282)917(16)2521h49H311H212H3(H2425)(H2627)b136
MFCD06003370
ZINC000012393130
ZINC12393130
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