Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STL122469
SMILES O=C(Nc1ccc(cc1)F)CSc1nnc(n1C(C)C)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 C21H19FN4O2S MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O2S/c1-13(2)26-20(18-11-14-5-3-4-6-17(14)28-18)24-25-21(26)29-12-19(27)23-16-9-7-15(22)8-10-16/h3-11,13H,12H2,1-2H3,(H,23,27)InChIKey
SOWPQJAGJDHZOQ-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3=CC4=CC=CC=C4O3
InChI=1SC21H19FN4O2Sc113(2)2620(181114534617(14)2818)242521(26)291219(27)23169715(22)81016h31113H12H212H3(H2327)
MFCD18434652
ZINC000039753435
ZINC39753435
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