Vitas-M small molecule compound
(2E)-3-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)phenyl}prop-2-enoic acid
Catalog ID
STL510488
SMILES CCOc1cc(/C=C/C(=O)O)cc(c1OCc1ccc(cc1)Br)CC=C
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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 C21H21BrO4 MW 417.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrO4/c1-3-5-17-12-16(8-11-20(23)24)13-19(25-4-2)21(17)26-14-15-6-9-18(22)10-7-15/h3,6-13H,1,4-5,14H2,2H3,(H,23,24)/b11-8+InChIKey
DFLACALDINRTQL-DHZHZOJOSA-NSynonyms
(~(E))3(4((4bromophenyl)methoxy)3ethoxy5prop2enylphenyl)prop2enoicacid
(2E)3(4((4bromobenzyl)oxy)3ethoxy5(prop2en1yl)phenyl)prop2enoicacid
134717193
InChI=1SC21H21BrO4c135171216(81120(23)24)1319(2542)21(17)2614156918(22)10715h3613H14514H22H3(H2324)b118+
MFCD31711502
ZINC001772491184
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