Vitas-M small molecule compound
(2E)-3-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-iodo-5-methoxyphenyl}prop-2-enoic acid
Catalog ID
STL509269
SMILES COc1cc(/C=C/C(=O)O)cc(c1OCc1ccc(cc1Cl)F)I
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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 C17H13ClFIO4 MW 462.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClFIO4/c1-23-15-7-10(2-5-16(21)22)6-14(20)17(15)24-9-11-3-4-12(19)8-13(11)18/h2-8H,9H2,1H3,(H,21,22)/b5-2+InChIKey
SDEXUTDOEAPRGN-GORDUTHDSA-NSynonyms
(~(E))3(4((2chloro4fluorophenyl)methoxy)3iodo5methoxyphenyl)prop2enoicacid
(2E)3(4((2CHLORO4FLUOROBENZYL)OXY)3IODO5METHOXYPHENYL)ACRYLICACID
(2E)3(4((2chloro4fluorobenzyl)oxy)3iodo5methoxyphenyl)prop2enoicacid
91685229
InChI=1SC17H13ClFIO4c12315710(2516(21)22)614(20)17(15)249113412(19)813(11)18h28H9H21H3(H2122)b52+
MFCD31657582
ZINC000226336784
ZINC226336784
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