Vitas-M small molecule compound
(2E)-3-[3-bromo-4-(carboxymethoxy)-5-ethoxyphenyl]prop-2-enoic acid
Catalog ID
STK398182
SMILES CCOc1cc(/C=C/C(=O)O)cc(c1OCC(=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 C13H13BrO6 MW 345.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrO6/c1-2-19-10-6-8(3-4-11(15)16)5-9(14)13(10)20-7-12(17)18/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)/b4-3+InChIKey
BUEVOSZGXCWTQG-ONEGZZNKSA-NSynonyms
(2E)3(3bromo4(carboxymethoxy)5ethoxyphenyl)prop2enoicacid
(E)3(3bromo4(carboxymethoxy)5ethoxyphenyl)prop2enoicacid
CCOC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)O
CCOc1cc(C=CC(=O)O)cc(c1OCC(=O)O)Br
InChI=1SC13H13BrO6c12191068(3411(15)16)59(14)13(10)20712(17)18h36H27H21H3(H1516)(H1718)b43+
MFCD02256601
ZINC000013747451
ZINC13747451
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