Vitas-M small molecule compound
3-[(4-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170516
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)OCc2cccc(c2)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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-2-17-6-10-21(11-7-17)29-25(31)23(24(30)28-27(29)34)15-18-8-12-22(13-9-18)35-16-19-4-3-5-20(14-19)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+InChIKey
IRNCXWCSDGNGGD-HZHRSRAPSA-NSynonyms
362693-08-13((4((1(4ETHYLPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((E)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
362693081
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC27H22N2O6c121761021(11717)2925(31)23(24(30)2827(29)34)151881222(13918)35161943520(1419)26(32)33h315H216H21H3(H3233)(H283034)b2315+
MFCD02611952
ZINC000002783190
ZINC2783190
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.