Vitas-M small molecule compound

4-methyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK446677
SMILES Cn1c(COc2cccc(c2)C(F)(F)F)nnc1S

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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 C11H10F3N3OS MW 289.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10F3N3OS/c1-17-9(15-16-10(17)19)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,16,19)
InChIKey
JAZIJYVOLZZRKK-UHFFFAOYSA-N
Synonyms
724749-07-9
4METHYL3((3(TRIFLUOROMETHYL)PHENOXY)METHYL)1H124TRIAZOLE5THIONE
4METHYL5((3(TRIFLUOROMETHYL)PHENOXY)METHYL)124TRIAZOLE3THIOL
4methyl5((3(trifluoromethyl)phenoxy)methyl)4H124triazole3thiol
4METHYL5(3(TRIFLUOROMETHYL)PHENOXYMETHYL)124TRIAZOLE3THIOL
724749079
CN1C(=NNC1=S)COC2=CC=CC(=C2)C(F)(F)F
InChI=1SC11H10F3N3OSc1179(151610(17)19)61884237(58)11(1213)14h25H6H21H3(H1619)
MFCD04059082
ZINC000002526671
ZINC02526671
ZINC2526671

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.