Vitas-M small molecule compound

5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK310402
SMILES CCn1c(S)nnc1c1ccccc1OC(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 C11H11F2N3OS MW 271.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11F2N3OS/c1-2-16-9(14-15-11(16)18)7-5-3-4-6-8(7)17-10(12)13/h3-6,10H,2H2,1H3,(H,15,18)
InChIKey
SAIMGASHDYFKKT-UHFFFAOYSA-N
Synonyms
832127-32-9
3(2(DIFLUOROMETHOXY)PHENYL)4ETHYL1H124TRIAZOLE5THIONE
5(2(DIFLUOROMETHOXY)PHENYL)4ETHYL124TRIAZOLE3THIOL
5(2(difluoromethoxy)phenyl)4ethyl4H124triazole3thiol
5(2DIFLUOROMETHOXYPHENYL)4ETHYL4H(124)
5(2DIFLUOROMETHOXYPHENYL)4ETHYL4H(124)TRIAZOLE3THIOL
832127329
CCN1C(=NNC1=S)C2=CC=CC=C2OC(F)F
InChI=1SC11H11F2N3OSc12169(141511(16)18)753468(7)1710(12)13h3610H2H21H3(H1518)
MFCD03423552
ZINC000002573493
ZINC02573493
ZINC2573493

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Available files

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