Vitas-M small molecule compound
{2-bromo-6-ethoxy-4-[(Z)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STL484743
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccccc2)cc(c1OCC(=O)O)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 C21H17BrN2O7 MW 489.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O7/c1-2-30-16-10-12(9-15(22)18(16)31-11-17(25)26)8-14-19(27)23-21(29)24(20(14)28)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,25,26)(H,23,27,29)/b14-8-InChIKey
KZQBYMDPCQPMRI-ZSOIEALJSA-NSynonyms
(2bromo6ethoxy4((Z)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2bromo6ethoxy4((Z)(246trioxo1phenyl13diazinan5ylidene)methyl)phenoxy)aceticacid
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Br)OCC(=O)O
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)cc(c1OCC(=O)O)Br
InChI=1SC21H17BrN2O7c1230161012(915(22)18(16)311117(25)26)81419(27)2321(29)24(20(14)28)136435713h310H211H21H3(H2526)(H232729)b148
MFCD30713681
ZINC000033456023
ZINC33456023
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