Vitas-M small molecule compound
(2E)-2-(acetylamino)-3-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxyphenyl}prop-2-enoic acid
Catalog ID
STL360343
SMILES CCOc1cc(/C=C(\C(=O)O)/NC(=O)C)cc(c1OCc1ccc(cc1)Cl)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 C20H19BrClNO5 MW 468.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrClNO5/c1-3-27-18-10-14(9-17(20(25)26)23-12(2)24)8-16(21)19(18)28-11-13-4-6-15(22)7-5-13/h4-10H,3,11H2,1-2H3,(H,23,24)(H,25,26)/b17-9+InChIKey
VLMKSCVTJFVONX-RQZCQDPDSA-NSynonyms
799806-54-5(2E)2(acetylamino)3(3bromo4((4chlorobenzyl)oxy)5ethoxyphenyl)prop2enoicacid
(E)2acetamido3(3bromo4((4chlorobenzyl)oxy)5ethoxyphenyl)acrylicacid
(E)2ACETAMIDO3(3BROMO4((4CHLOROPHENYL)METHOXY)5ETHOXYPHENYL)PROP2ENOICACID
799806545
CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Br)OCC2=CC=C(C=C2)Cl
CCOc1cc(C=C(C(=O)O)NC(=O)C)cc(c1OCc1ccc(cc1)Cl)Br
InChI=1SC20H19BrClNO5c1327181014(917(20(25)26)2312(2)24)816(21)19(18)2811134615(22)7513h410H311H212H3(H2324)(H2526)b179+
MFCD03679188
ZINC000009428205
ZINC9428205
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