Vitas-M small molecule compound
4-{(Z)-[1-(3-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoic acid
Catalog ID
STK533136
SMILES COc1cccc(c1)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 C19H14N2O6 MW 366.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O6/c1-27-14-4-2-3-13(10-14)21-17(23)15(16(22)20-19(21)26)9-11-5-7-12(8-6-11)18(24)25/h2-10H,1H3,(H,24,25)(H,20,22,26)/b15-9-InChIKey
NMXUZBJHFNVAKJ-DHDCSXOGSA-NSynonyms
352343-87-4(Z)4((1(3methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
352343874
4((Z)(1(3METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOICACID
4((Z)(1(3methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O
COc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)C(=O)O)C1=O
InChI=1SC19H14N2O6c1271442313(1014)2117(23)15(16(22)2019(21)26)9115712(8611)18(24)25h210H1H3(H2425)(H202226)b159
MFCD01946471
ZINC000004805579
ZINC4805579
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