Vitas-M small molecule compound

(2E)-3-{2-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}prop-2-enoic acid

Catalog ID
STK400592
SMILES CCOc1cc(/C=C/C(=O)O)c(cc1OCc1ccccc1Cl)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 C18H16BrClO4 MW 411.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrClO4/c1-2-23-16-9-12(7-8-18(21)22)14(19)10-17(16)24-11-13-5-3-4-6-15(13)20/h3-10H,2,11H2,1H3,(H,21,22)/b8-7+
InChIKey
IDDRZGYXCUTSOZ-BQYQJAHWSA-N
Synonyms
1119429-30-9
(2E)3(2bromo4((2chlorobenzyl)oxy)5ethoxyphenyl)prop2enoicacid
(E)3(2bromo4((2chlorophenyl)methoxy)5ethoxyphenyl)prop2enoicacid
1119429309
CCOC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC2=CC=CC=C2Cl
CCOc1cc(C=CC(=O)O)c(cc1OCc1ccccc1Cl)Br
InChI=1SC18H16BrClO4c122316912(7818(21)22)14(19)1017(16)241113534615(13)20h310H211H21H3(H2122)b87+
MFCD02256902
ZINC000022638110
ZINC22638110

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Available files

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