Vitas-M small molecule compound
methyl 4-{(E)-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}benzoate
Catalog ID
STK614168
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(cc2)C(=O)OC)/C1=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 C20H16N2O6 MW 380.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O6/c1-27-15-9-7-14(8-10-15)22-18(24)16(17(23)21-20(22)26)11-12-3-5-13(6-4-12)19(25)28-2/h3-11H,1-2H3,(H,21,23,26)/b16-11+InChIKey
TZBGSCSRUONRHV-LFIBNONCSA-NSynonyms
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(cc2)C(=O)OC)C1=O)O
InChI=1SC20H16N2O6c127159714(81015)2218(24)16(17(23)2120(22)26)11123513(6412)19(25)282h311H12H3(H212326)b1611+
METHYL4((E)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOATE
methyl4((E)(4hydroxy1(4methoxyphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)benzoate
MFCD08730058
ZINC000009138228
ZINC9138228
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