Vitas-M small molecule compound
ethyl 3-oxo-2-{[4-(2-phenoxyethyl)-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Catalog ID
STL339876
SMILES CCOC(=O)C(C(=O)C)Sc1sc(=S)n(n1)CCOc1ccccc1
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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 C16H18N2O4S3 MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S3/c1-3-21-14(20)13(11(2)19)24-15-17-18(16(23)25-15)9-10-22-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3InChIKey
FQTGXIKEKOKLEM-UHFFFAOYSA-NSynonyms
843626-10-8843626108
CCOC(=O)C(C(=O)C)SC1=NN(C(=S)S1)CCOC2=CC=CC=C2
ETHYL3OXO2((4(2PHENOXYETHYL)5SULFANYLIDENE134THIADIAZOL2YL)SULFANYL)BUTANOATE
ethyl3oxo2((4(2phenoxyethyl)5thioxo45dihydro134thiadiazol2yl)sulfanyl)butanoate
ethyl3oxo2((4(2phenoxyethyl)5thioxo45dihydro134thiadiazol2yl)thio)butanoate
InChI=1SC16H18N2O4S3c132114(20)13(11(2)19)24151718(16(23)2515)91022127546812h4813H3910H212H3
MFCD03878574
ZINC000002422055
ZINC000002422056
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