Vitas-M small molecule compound
5-{1-[2-fluoro-4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL480774
SMILES CC(Cc1ccc(c(c1)F)C(c1nnc(n1c1ccccc1)S)C)C
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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 C20H22FN3S MW 355.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3S/c1-13(2)11-15-9-10-17(18(21)12-15)14(3)19-22-23-20(25)24(19)16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H,23,25)InChIKey
LACNCIHVJSEFEV-UHFFFAOYSA-NSynonyms
3(1(2fluoro4(2methylpropyl)phenyl)ethyl)4phenyl1H124triazole5thione
5(1(2fluoro4(2methylpropyl)phenyl)ethyl)4phenyl4H124triazole3thiol
CC(C)CC1=CC(=C(C=C1)C(C)C2=NNC(=S)N2C3=CC=CC=C3)F
InChI=1SC20H22FN3Sc113(2)111591017(18(21)1215)14(3)19222320(25)24(19)167546816h4101214H11H213H3(H2325)
MFCD30713183
ZINC000334160719
ZINC000334160720
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