Vitas-M small molecule compound
5-(5-methyl-1-benzofuran-2-yl)-2-(morpholin-4-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL569096
SMILES Cc1ccc2c(c1)cc(o2)c1nn(c(=S)n1c1ccccc1)CN1CCOCC1
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-16-7-8-19-17(13-16)14-20(28-19)21-23-25(15-24-9-11-27-12-10-24)22(29)26(21)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3InChIKey
XUPWBKDPDCNSBQ-UHFFFAOYSA-NSynonyms
125432687
3(5methylbenzofuran2yl)1(morpholinomethyl)4phenyl1H124triazole5(4H)thione
5(5methyl1benzofuran2yl)2(morpholin4ylmethyl)4phenyl124triazole3thione
5(5methyl1benzofuran2yl)2(morpholin4ylmethyl)4phenyl24dihydro3H124triazole3thione
InChI=1SC22H22N4O2Sc116781917(1316)1420(2819)212325(152491127121024)22(29)26(21)185324618h281314H91215H21H3
MFCD32654103
ZINC000524734115
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