Vitas-M small molecule compound
(2E)-3-{3-chloro-4-[(2,6-dichlorobenzyl)oxy]-5-methoxyphenyl}prop-2-enoic acid
Catalog ID
STL509263
SMILES COc1cc(/C=C/C(=O)O)cc(c1OCc1c(Cl)cccc1Cl)Cl
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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 C17H13Cl3O4 MW 387.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl3O4/c1-23-15-8-10(5-6-16(21)22)7-14(20)17(15)24-9-11-12(18)3-2-4-13(11)19/h2-8H,9H2,1H3,(H,21,22)/b6-5+InChIKey
LXRONVKXUBBGGD-AATRIKPKSA-NSynonyms
(~(E))3(3chloro4((26dichlorophenyl)methoxy)5methoxyphenyl)prop2enoicacid
(2E)3(3chloro4((26dichlorobenzyl)oxy)5methoxyphenyl)prop2enoicacid
22686013
InChI=1SC17H13Cl3O4c12315810(5616(21)22)714(20)17(15)2491112(18)32413(11)19h28H9H21H3(H2122)b65+
MFCD09720638
ZINC000011824609
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