Vitas-M small molecule compound
2-(4-{(Z)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STL384301
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(cc2)OC(C(=O)O)C)/C1=O
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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 C20H15BrN2O6 MW 459.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O6/c1-11(19(26)27)29-15-8-2-12(3-9-15)10-16-17(24)22-20(28)23(18(16)25)14-6-4-13(21)5-7-14/h2-11H,1H3,(H,26,27)(H,22,24,28)/b16-10-InChIKey
AXPXVTXZVICJFY-YBEGLDIGSA-NSynonyms
(Z)2(4((1(4bromophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
2(4((Z)(1(4bromophenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)propanoicacid
2(4((Z)(1(4bromophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OC(C(=O)O)C)C1=O
InChI=1SC20H15BrN2O6c111(19(26)27)29158212(3915)101617(24)2220(28)23(18(16)25)146413(21)5714h211H1H3(H2627)(H222428)b1610
MFCD02624397
ZINC000012381026
ZINC000012381027
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