Vitas-M small molecule compound
4-({2-ethoxy-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STL494970
SMILES CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
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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/c1-2-35-23-15-18(10-13-22(23)36-16-17-8-11-19(12-9-17)26(32)33)14-21-24(30)28-27(34)29(25(21)31)20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b21-14+InChIKey
HAXJYSXJIQRAKJ-KGENOOAVSA-NSynonyms
4((2ETHOXY4((E)(246TRIOXO1PHENYL13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2ethoxy4((E)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)O
CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1
InChI=1SC27H22N2O7c1235231518(101322(23)36161781119(12917)26(32)33)142124(30)2827(34)29(25(21)31)206435720h315H216H21H3(H3233)(H283034)b2114+
MFCD03994699
ZINC000002833382
ZINC2833382
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