Vitas-M small molecule compound
(2E)-3-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-ethoxyphenyl}prop-2-enoic acid
Catalog ID
STL426677
SMILES CCOc1cc(/C=C/C(=O)O)ccc1OCc1c(F)cccc1Cl
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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 C18H16ClFO4 MW 350.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFO4/c1-2-23-17-10-12(7-9-18(21)22)6-8-16(17)24-11-13-14(19)4-3-5-15(13)20/h3-10H,2,11H2,1H3,(H,21,22)/b9-7+InChIKey
TVXWOZCEOYIKFE-VQHVLOKHSA-NSynonyms
(2E)3(4((2chloro6fluorobenzyl)oxy)3ethoxyphenyl)prop2enoicacid
(E)3(4((2chloro6fluorophenyl)methoxy)3ethoxyphenyl)prop2enoicacid
CCOC1=C(C=CC(=C1)C=CC(=O)O)OCC2=C(C=CC=C2Cl)F
CCOc1cc(C=CC(=O)O)ccc1OCc1c(F)cccc1Cl
InChI=1SC18H16ClFO4c1223171012(7918(21)22)6816(17)24111314(19)43515(13)20h310H211H21H3(H2122)b97+
MFCD29036231
ZINC000011887436
ZINC11887436
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