Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpropan-1-one
Catalog ID
STL182538
SMILES CC(C(=O)c1ccccc1)Sc1nnc(n1C)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 C20H17N3O2S MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O2S/c1-13(18(24)14-8-4-3-5-9-14)26-20-22-21-19(23(20)2)17-12-15-10-6-7-11-16(15)25-17/h3-13H,1-2H3InChIKey
ZYHDKWKYDQKIKQ-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)1phenylpropan1one
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)1phenylpropan1one
CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC4=CC=CC=C4O3
InChI=1SC20H17N3O2Sc113(18(24)148435914)2620222119(23(20)2)17121510671116(15)2517h313H12H3
MFCD22125377
ZINC000072191448
ZINC000072191449
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