Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]prop-2-enoic acid
Catalog ID
STK397508
SMILES CCOc1cc(/C=C/C(=O)O)c(cc1OCc1ccccc1)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 C18H17BrO4 MW 377.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrO4/c1-2-22-16-10-14(8-9-18(20)21)15(19)11-17(16)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,21)/b9-8+InChIKey
RGMWSPNQRLIRQT-CMDGGOBGSA-NSynonyms
932866-10-9(2E)3(4(benzyloxy)2bromo5ethoxyphenyl)prop2enoicacid
(E)3(2BROMO5ETHOXY4PHENYLMETHOXYPHENYL)PROP2ENOICACID
932866109
CCOC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC2=CC=CC=C2
CCOc1cc(C=CC(=O)O)c(cc1OCc1ccccc1)Br
InChI=1SC18H17BrO4c1222161014(8918(20)21)15(19)1117(16)2312136435713h311H212H21H3(H2021)b98+
MFCD02256890
ZINC000006155336
ZINC6155336
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