Vitas-M small molecule compound
(2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid
Catalog ID
STL360345
SMILES CCOc1cc(/C=C(\C(=O)O)/NC(=O)C)cc(c1OCc1ccc(cc1)Br)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 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(22)19(18)28-11-13-4-6-15(21)7-5-13/h4-10H,3,11H2,1-2H3,(H,23,24)(H,25,26)/b17-9+InChIKey
IEJMMDSWCWGAOT-RQZCQDPDSA-NSynonyms
799783-40-7(2E)2(acetylamino)3(4((4bromobenzyl)oxy)3chloro5ethoxyphenyl)prop2enoicacid
(E)2acetamido3(4((4bromobenzyl)oxy)3chloro5ethoxyphenyl)acrylicacid
(E)2ACETAMIDO3(4((4BROMOPHENYL)METHOXY)3CHLORO5ETHOXYPHENYL)PROP2ENOICACID
(E)2ACETYLAMINO3(4(4BROMOBENZYLOXY)3CHLORO5ETHOXYPHENYL)ACRYLICACID
799783407
CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Cl)OCC2=CC=C(C=C2)Br
CCOc1cc(C=C(C(=O)O)NC(=O)C)cc(c1OCc1ccc(cc1)Br)Cl
InChI=1SC20H19BrClNO5c1327181014(917(20(25)26)2312(2)24)816(22)19(18)2811134615(21)7513h410H311H212H3(H2324)(H2526)b179+
MFCD03674709
ZINC000009076076
ZINC9076076
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