Vitas-M small molecule compound
4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoic acid
Catalog ID
STK710296
SMILES Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)C(=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 C19H14N2O5 MW 350.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O5/c1-11-2-8-14(9-3-11)21-17(23)15(16(22)20-19(21)26)10-12-4-6-13(7-5-12)18(24)25/h2-10H,1H3,(H,24,25)(H,20,22,26)/b15-10+InChIKey
YBQQMWZDOUOHCD-XNTDXEJSSA-NSynonyms
(Z)4((246trioxo1(ptolyl)tetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
4((1(4METHYLPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)BENZOICACID
4((E)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOICACID
4((E)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)C(=O)O)C1=O
InChI=1SC19H14N2O5c1112814(9311)2117(23)15(16(22)2019(21)26)10124613(7512)18(24)25h210H1H3(H2425)(H202226)b1510+
MFCD01655842
ZINC000002283853
ZINC2283853
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