Vitas-M small molecule compound

4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173876
SMILES COc1cc(ccc1OC(F)F)/C=N/n1c(S)nnc1C(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 C12H9F5N4O2S MW 368.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F5N4O2S/c1-22-8-4-6(2-3-7(8)23-10(13)14)5-18-21-9(12(15,16)17)19-20-11(21)24/h2-5,10H,1H3,(H,20,24)/b18-5+
InChIKey
UWVSPFXCGTWWIN-BLLMUTORSA-N
Synonyms
828279-92-1
4(((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)amino)5(trifluoromethyl)4H124triazole3thiol
4((E)(4(difluoromethoxy)3methoxyphenyl)methylideneamino)3(trifluoromethyl)1H124triazole5thione
828279921
COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(F)(F)F)OC(F)F
COc1cc(ccc1OC(F)F)C=Nn1c(S)nnc1C(F)(F)F
InChI=1SC12H9F5N4O2Sc122846(237(8)2310(13)14)518219(12(1516)17)192011(21)24h2510H1H3(H2024)b185+
MFCD04056354
ZINC000008470969
ZINC2790822

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Available files

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