Vitas-M small molecule compound
6,7-dimethoxy-3-{[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}-2-benzofuran-1(3H)-one
Catalog ID
STK688471
SMILES COc1c(OC)ccc2c1C(=O)OC2Nc1n[nH]c(n1)SC
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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 C13H14N4O4S MW 322.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O4S/c1-19-7-5-4-6-8(9(7)20-2)11(18)21-10(6)14-12-15-13(22-3)17-16-12/h4-5,10H,1-3H3,(H2,14,15,16,17)InChIKey
UUSHPSLVBFCFIZ-UHFFFAOYSA-NSynonyms
1(3H)ISOBENZOFURANONE67DIMETHOXY3((5(METHYLTHIO)1H124TRIAZOL3YL)AMINO)
67DIMETHOXY3((3METHYLSULFANYL1H124TRIAZOL5YL)AMINO)3H2BENZOFURAN1ONE
67dimethoxy3((5(methylsulfanyl)1H124triazol3yl)amino)2benzofuran1(3H)one
67DIMETHOXY3((5METHYLTHIO(1H124TRIAZOL3YL))AMINO)3HYDROISOBENZOFURAN1ONE
COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=NN3)SC)OC
COc1c(OC)ccc2c1C(=O)OC2Nc1n(nH)c(n1)SC
InChI=1SC13H14N4O4Sc11975468(9(7)202)11(18)2110(6)14121513(223)171612h4510H13H3(H214151617)
MFCD07657663
ZINC000004776204
ZINC000004776208
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