Vitas-M small molecule compound
(2E)-3-{2-bromo-5-methoxy-4-[2-oxo-2-(phenylamino)ethoxy]phenyl}prop-2-enoic acid
Catalog ID
STK398198
SMILES COc1cc(/C=C/C(=O)O)c(cc1OCC(=O)Nc1ccccc1)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 C18H16BrNO5 MW 406.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrNO5/c1-24-15-9-12(7-8-18(22)23)14(19)10-16(15)25-11-17(21)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21)(H,22,23)/b8-7+InChIKey
HHQWHJAGGUEADD-BQYQJAHWSA-NSynonyms
(2E)3(2bromo5methoxy4(2oxo2(phenylamino)ethoxy)phenyl)prop2enoicacid
(E)3(4(2anilino2oxoethoxy)2bromo5methoxyphenyl)prop2enoicacid
COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC(=O)NC2=CC=CC=C2
COc1cc(C=CC(=O)O)c(cc1OCC(=O)Nc1ccccc1)Br
InChI=1SC18H16BrNO5c12415912(7818(22)23)14(19)1016(15)251117(21)20135324613h210H11H21H3(H2021)(H2223)b87+
MFCD02256913
ZINC000022077353
ZINC22077353
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