Vitas-M small molecule compound
3-{[(5E)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}-4-methylbenzoic acid
Catalog ID
STL036038
SMILES CCOc1ccc(cc1OC)/C=C\1/SC(=NC1=O)Nc1cc(ccc1C)C(=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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-4-28-16-8-6-13(9-17(16)27-3)10-18-19(24)23-21(29-18)22-15-11-14(20(25)26)7-5-12(15)2/h5-11H,4H2,1-3H3,(H,25,26)(H,22,23,24)/b18-10+InChIKey
AKHBIVNSYUNSTD-VCHYOVAHSA-NSynonyms
3(((5E)5((4ethoxy3methoxyphenyl)methylidene)4oxo13thiazol2yl)amino)4methylbenzoicacid
3(((5E)5(4ethoxy3methoxybenzylidene)4oxo45dihydro13thiazol2yl)amino)4methylbenzoicacid
CCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)NC3=C(C=CC(=C3)C(=O)O)C)OC
CCOc1ccc(cc1OC)C=C1SC(=NC1=O)Nc1cc(ccc1C)C(=O)O
InChI=1SC21H20N2O5Sc1428168613(917(16)273)101819(24)2321(2918)22151114(20(25)26)7512(15)2h511H4H213H3(H2526)(H222324)b1810+
MFCD18192289
ZINC000035042698
ZINC35042698
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