Vitas-M small molecule compound
5-(1-benzofuran-2-yl)-2-(hydroxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK971825
SMILES OCn1nc(n(c1=S)c1ccccc1)c1cc2c(o1)cccc2
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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 C17H13N3O2S MW 323.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O2S/c21-11-19-17(23)20(13-7-2-1-3-8-13)16(18-19)15-10-12-6-4-5-9-14(12)22-15/h1-10,21H,11H2InChIKey
LICXIXGVDVRJHX-UHFFFAOYSA-NSynonyms
118058-99-4118058994
3(benzofuran2yl)1(hydroxymethyl)4phenyl1H124triazole5(4H)thione
5(1benzofuran2yl)2(hydroxymethyl)4phenyl124triazole3thione
5(1benzofuran2yl)2(hydroxymethyl)4phenyl24dihydro3H124triazole3thione
C1=CC=C(C=C1)N2C(=NN(C2=S)CO)C3=CC4=CC=CC=C4O3
InChI=1SC17H13N3O2Sc21111917(23)20(137213813)16(1819)151012645914(12)2215h11021H11H2
MFCD08749667
ZINC000009418457
ZINC09418457
ZINC9418457
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