Vitas-M small molecule compound

(2E)-2-(acetylamino)-3-{4-[(3-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid

Catalog ID
STL360346
SMILES CCOc1cc(/C=C(\C(=O)O)/NC(=O)C)cc(c1OCc1cccc(c1)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)28-11-13-5-4-6-15(21)7-13/h4-10H,3,11H2,1-2H3,(H,23,24)(H,25,26)/b17-9+
InChIKey
JCLDHPQVIKVJQM-RQZCQDPDSA-N
Synonyms
835910-68-4
(2E)2(acetylamino)3(4((3bromobenzyl)oxy)3chloro5ethoxyphenyl)prop2enoicacid
(E)2acetamido3(4((3bromobenzyl)oxy)3chloro5ethoxyphenyl)acrylicacid
(E)2ACETAMIDO3(4((3BROMOPHENYL)METHOXY)3CHLORO5ETHOXYPHENYL)PROP2ENOICACID
(E)2ACETYLAMINO3(4(3BROMOBENZYLOXY)3CHLORO5ETHOXYPHENYL)ACRYLICACID
835910684
CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Cl)OCC2=CC(=CC=C2)Br
CCOc1cc(C=C(C(=O)O)NC(=O)C)cc(c1OCc1cccc(c1)Br)Cl
InChI=1SC20H19BrClNO5c1327181014(917(20(25)26)2312(2)24)816(22)19(18)28111354615(21)713h410H311H212H3(H2324)(H2526)b179+
MFCD03687256
ZINC000009461235
ZINC9461235

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Available files

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