Vitas-M small molecule compound
2-(5-{(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL382212
SMILES Cc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2ccccc2C(=O)O)/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 C23H16N2O5S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O5S/c1-13-6-8-14(9-7-13)25-21(27)18(20(26)24-23(25)31)12-15-10-11-19(30-15)16-4-2-3-5-17(16)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,31)/b18-12-InChIKey
XDDKTWMJPWXZER-PDGQHHTCSA-NSynonyms
(Z)2(5((46dioxo2thioxo1(ptolyl)tetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
2(5((Z)(1(4methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccccc2C(=O)O)C1=O
MFCD02628923
ZINC000017044378
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