Vitas-M small molecule compound
ethyl 3-oxo-2-[(4H-1,2,4-triazol-4-ylcarbamothioyl)sulfanyl]butanoate
Catalog ID
STL302746
SMILES CCOC(=O)C(C(=O)C)SC(=S)Nn1cnnc1
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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 C9H12N4O3S2 MW 288.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N4O3S2/c1-3-16-8(15)7(6(2)14)18-9(17)12-13-4-10-11-5-13/h4-5,7H,3H2,1-2H3,(H,12,17)InChIKey
HBNRVOATGZZCNJ-UHFFFAOYSA-NSynonyms
313513-99-4313513994
3OXO2((124)TRIAZOL4YLTHIOCARBAMOYLSULFANYL)BUTYRICACIDETHYLESTER
CCOC(=O)C(C(=O)C)SC(=S)NN1C=NN=C1
ETHYL(2R)3OXO2((4H124TRIAZOL4YLCARBAMOTHIOYL)SULFANYL)BUTANOATE
ETHYL(2S)3OXO2((4H124TRIAZOL4YLCARBAMOTHIOYL)SULFANYL)BUTANOATE
ethyl2(((4H124triazol4yl)carbamothioyl)thio)3oxobutanoate
ethyl3oxo2((4H124triazol4ylcarbamothioyl)sulfanyl)butanoate
ETHYL3OXO2(124TRIAZOL4YLCARBAMOTHIOYLSULFANYL)BUTANOATE
ETHYL3OXO2(THIOXO(124TRIAZOL4YLAMINO)METHYLTHIO)BUTANOATE
InChI=1SC9H12N4O3S2c13168(15)7(6(2)14)189(17)121341011513h457H3H212H3(H1217)
MFCD00694591
ZINC000002067584
ZINC000002067585
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