Vitas-M small molecule compound
4-{(E)-[4-hydroxy-1-(4-methoxybenzyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}benzoic acid
Catalog ID
STK614385
SMILES COc1ccc(cc1)CN1C(=O)N=C(/C(=C\c2ccc(cc2)C(=O)O)/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/c1-28-15-8-4-13(5-9-15)11-22-18(24)16(17(23)21-20(22)27)10-12-2-6-14(7-3-12)19(25)26/h2-10H,11H2,1H3,(H,25,26)(H,21,23,27)/b16-10+InChIKey
ZOAKYVKUDQKDDD-MHWRWJLKSA-NSynonyms
4((E)(1((4METHOXYPHENYL)METHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOICACID
4((E)(4hydroxy1(4methoxybenzyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)benzoicacid
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O
COc1ccc(cc1)CN1C(=O)N=C(C(=Cc2ccc(cc2)C(=O)O)C1=O)O
InChI=1SC20H16N2O6c128158413(5915)112218(24)16(17(23)2120(22)27)10122614(7312)19(25)26h210H11H21H3(H2526)(H212327)b1610+
MFCD09798746
ZINC000002282532
ZINC2282532
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