Vitas-M small molecule compound
4-[(2-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK152537
SMILES C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(cc2)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 C21H15NO5S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO5S/c1-2-11-22-19(23)18(28-21(22)26)12-16-5-3-4-6-17(16)27-13-14-7-9-15(10-8-14)20(24)25/h1,3-10,12H,11,13H2,(H,24,25)/b18-12+InChIKey
WDMMKAUTFOTIKL-LDADJPATSA-NSynonyms
4((2((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C#CCN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)SC1=O
C#CCN1C(=O)SC(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H15NO5Sc12112219(23)18(2821(22)26)1216534617(16)2713147915(10814)20(24)25h131012H1113H2(H2425)b1812+
MFCD03706185
ZINC000012342694
ZINC12342694
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