Vitas-M small molecule compound
4-[(4-{(E)-[1-(4-ethoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK611608
SMILES CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(cc2)OCc2ccc(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 C27H22N2O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7/c1-2-35-21-13-9-20(10-14-21)29-25(31)23(24(30)28-27(29)34)15-17-5-11-22(12-6-17)36-16-18-3-7-19(8-4-18)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+InChIKey
LBZMWEODGUDEKK-HZHRSRAPSA-NSynonyms
4((4((1(4ETHOXYPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((E)(1(4ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((E)(1(4ethoxyphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O)O
InChI=1SC27H22N2O7c12352113920(101421)2925(31)23(24(30)2827(29)34)151751122(12617)3616183719(8418)26(32)33h315H216H21H3(H3233)(H283034)b2315+
MFCD08729332
ZINC000016691682
ZINC16691682
Check stock
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Check stock on Vitas-MAvailable files
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