Vitas-M small molecule compound
3-[(2-chloro-6-ethoxy-4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170617
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCc1cccc(c1)C(=O)O)Cl
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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 C28H23ClN2O7 MW 534.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O7/c1-3-37-23-14-18(13-22(29)24(23)38-15-17-5-4-6-19(11-17)27(34)35)12-21-25(32)30-28(36)31(26(21)33)20-9-7-16(2)8-10-20/h4-14H,3,15H2,1-2H3,(H,34,35)(H,30,32,36)/b21-12+InChIKey
JOIBSGCQKROJJJ-CIAFOILYSA-NSynonyms
3((2chloro6ethoxy4((E)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
3((2CHLORO6ETHOXY4((E)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)Cl)OCC4=CC=CC(=C4)C(=O)O
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCc1cccc(c1)C(=O)O)Cl
InChI=1SC28H23ClN2O7c1337231418(1322(29)24(23)38151754619(1117)27(34)35)122125(32)3028(36)31(26(21)33)209716(2)81020h414H315H212H3(H3435)(H303236)b2112+
MFCD03249989
ZINC000097960554
ZINC97960554
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