Vitas-M small molecule compound
4-benzyl-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL177646
SMILES FC(C(Oc1cccc(c1)c1nnc(n1Cc1ccccc1)S)(F)F)F
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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 C17H13F4N3OS MW 383.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F4N3OS/c18-15(19)17(20,21)25-13-8-4-7-12(9-13)14-22-23-16(26)24(14)10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,23,26)InChIKey
IGENXLXZZLWJNV-UHFFFAOYSA-NSynonyms
4benzyl3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
4benzyl5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F
InChI=1SC17H13F4N3OSc1815(19)17(2021)251384712(913)14222316(26)24(14)10115213611h1915H10H2(H2326)
MFCD04053807
ZINC000002791370
ZINC2791370
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