Vitas-M small molecule compound
4-[(5E)-5-(2,4-dimethoxybenzylidene)-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STL052021
SMILES COc1ccc(c(c1)OC)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)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 C20H16N2O7 MW 396.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O7/c1-28-14-8-5-12(16(10-14)29-2)9-15-17(23)21-20(27)22(18(15)24)13-6-3-11(4-7-13)19(25)26/h3-10H,1-2H3,(H,25,26)(H,21,23,27)/b15-9+InChIKey
NAOLPRRNKTWLBV-OQLLNIDSSA-NSynonyms
4((5E)5((24DIMETHOXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOICACID
4((5E)5(24dimethoxybenzylidene)4hydroxy26dioxo56dihydropyrimidin1(2H)yl)benzoicacid
COc1ccc(c(c1)OC)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)O
InChI=1SC20H16N2O7c128148512(16(1014)292)91517(23)2120(27)22(18(15)24)136311(4713)19(25)26h310H12H3(H2526)(H212327)b159+
MFCD05724457
ZINC000017198399
ZINC17198399
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