Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-2,3-dibromo-5-ethoxyphenyl]prop-2-enoic acid
Catalog ID
STK398175
SMILES CCOc1cc(/C=C/C(=O)O)c(c(c1OCc1ccccc1)Br)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 C18H16Br2O4 MW 456.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Br2O4/c1-2-23-14-10-13(8-9-15(21)22)16(19)17(20)18(14)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,22)/b9-8+InChIKey
JPXQOECUHJMQBF-CMDGGOBGSA-NSynonyms
1076196-81-0(2E)3(4(benzyloxy)23dibromo5ethoxyphenyl)prop2enoicacid
(E)3(23dibromo5ethoxy4phenylmethoxyphenyl)prop2enoicacid
1076196810
CCOC1=C(C(=C(C(=C1)C=CC(=O)O)Br)Br)OCC2=CC=CC=C2
CCOc1cc(C=CC(=O)O)c(c(c1OCc1ccccc1)Br)Br
InChI=1SC18H16Br2O4c1223141013(8915(21)22)16(19)17(20)18(14)2411126435712h310H211H21H3(H2122)b98+
MFCD02257071
ZINC000022077347
ZINC22077347
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