Vitas-M small molecule compound

5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173950
SMILES CCOc1cc(ccc1OC(F)F)c1nnc(n1c1ccccc1C)S

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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 C18H17F2N3O2S MW 377.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F2N3O2S/c1-3-24-15-10-12(8-9-14(15)25-17(19)20)16-21-22-18(26)23(16)13-7-5-4-6-11(13)2/h4-10,17H,3H2,1-2H3,(H,22,26)
InChIKey
DETZOCCFHCFIKK-UHFFFAOYSA-N
Synonyms
828292-25-7
3(4(DIFLUOROMETHOXY)3ETHOXYPHENYL)4(2METHYLPHENYL)1H124TRIAZOLE5THIONE
5(4(difluoromethoxy)3ethoxyphenyl)4(2methylphenyl)4H124triazole3thiol
828292257
CCOC1=C(C=CC(=C1)C2=NNC(=S)N2C3=CC=CC=C3C)OC(F)F
InChI=1SC18H17F2N3O2Sc1324151012(8914(15)2517(19)20)16212218(26)23(16)13754611(13)2h41017H3H212H3(H2226)
MFCD04130736
ZINC000006910655
ZINC6910655

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Available files

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