Vitas-M small molecule compound
(5-bromo-4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Catalog ID
STK175147
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)c(cc1OCC(=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 C22H18BrClN2O7 MW 537.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O7/c1-3-32-17-7-12(15(23)9-18(17)33-10-19(27)28)6-14-20(29)25-22(31)26(21(14)30)13-5-4-11(2)16(24)8-13/h4-9H,3,10H2,1-2H3,(H,27,28)(H,25,29,31)/b14-6-InChIKey
BNCSZYYFFLQEBM-NSIKDUERSA-NSynonyms
(5BROMO4((Z)(1(3CHLORO4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
2(5bromo4((Z)(1(3chloro4methylphenyl)246trioxo13diazinan5ylidene)methyl)2ethoxyphenoxy)aceticacid
CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)Br)OCC(=O)O
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)c(cc1OCC(=O)O)Br
InChI=1SC22H18BrClN2O7c133217712(15(23)918(17)331019(27)28)61420(29)2522(31)26(21(14)30)135411(2)16(24)813h49H310H212H3(H2728)(H252931)b146
MFCD03729388
ZINC000097960593
ZINC97960593
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