Vitas-M small molecule compound
ethyl 2-({4-[2-(4-methylphenoxy)ethyl]-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl}sulfanyl)-3-oxobutanoate
Catalog ID
STL057082
SMILES CCOC(=O)C(C(=O)C)Sc1sc(=S)n(n1)CCOc1ccc(cc1)C
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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 C17H20N2O4S3 MW 412.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4S3/c1-4-22-15(21)14(12(3)20)25-16-18-19(17(24)26-16)9-10-23-13-7-5-11(2)6-8-13/h5-8,14H,4,9-10H2,1-3H3InChIKey
QUSYPMYGEYYNMF-UHFFFAOYSA-NSynonyms
577767-21-6577767216
CCOC(=O)C(C(=O)C)SC1=NN(C(=S)S1)CCOC2=CC=C(C=C2)C
ETHYL2((4(2(4METHYLPHENOXY)ETHYL)5SULFANYLIDENE134THIADIAZOL2YL)SULFANYL)3OXOBUTANOATE
ethyl2((4(2(4methylphenoxy)ethyl)5thioxo45dihydro134thiadiazol2yl)sulfanyl)3oxobutanoate
ethyl3oxo2((5thioxo4(2(ptolyloxy)ethyl)45dihydro134thiadiazol2yl)thio)butanoate
InChI=1SC17H20N2O4S3c142215(21)14(12(3)20)25161819(17(24)2616)91023137511(2)6813h5814H4910H213H3
MFCD03878436
ZINC000005047409
ZINC000005047410
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