Vitas-M small molecule compound
{5-bromo-4-[(E)-{2-[(5-chloro-1-benzofuran-2-yl)carbonyl]hydrazinylidene}methyl]-2-ethoxyphenoxy}acetic acid
Catalog ID
STK192492
SMILES CCOc1cc(/C=N/NC(=O)c2cc3c(o2)ccc(c3)Cl)c(cc1OCC(=O)O)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 C20H16BrClN2O6 MW 495.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O6/c1-2-28-16-7-12(14(21)8-17(16)29-10-19(25)26)9-23-24-20(27)18-6-11-5-13(22)3-4-15(11)30-18/h3-9H,2,10H2,1H3,(H,24,27)(H,25,26)/b23-9+InChIKey
BAJQFKVMKIBUBC-NUGSKGIGSA-NSynonyms
(5BROMO4((E)(2((5CHLORO1BENZOFURAN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
2(5bromo4((E)((5chloro1benzofuran2carbonyl)hydrazinylidene)methyl)2ethoxyphenoxy)aceticacid
CCOC1=C(C=C(C(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)Br)OCC(=O)O
CCOc1cc(C=NNC(=O)c2cc3c(o2)ccc(c3)Cl)c(cc1OCC(=O)O)Br
InChI=1SC20H16BrClN2O6c122816712(14(21)817(16)291019(25)26)9232420(27)18611513(22)3415(11)3018h39H210H21H3(H2427)(H2526)b239+
MFCD05800903
ZINC000009323871
ZINC33305325
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