Vitas-M small molecule compound

5-(difluoromethyl)-4-{[(E)-{4-methoxy-3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306311
SMILES COc1ccc(cc1COCC(C(F)F)(F)F)/C=N/n1c(S)nnc1C(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 C15H14F6N4O2S MW 428.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14F6N4O2S/c1-26-10-3-2-8(4-9(10)6-27-7-15(20,21)13(18)19)5-22-25-12(11(16)17)23-24-14(25)28/h2-5,11,13H,6-7H2,1H3,(H,24,28)/b22-5+
InChIKey
IRHZSCJSNMKRCP-RREIPUBJSA-N
Synonyms
828277-95-8
3(difluoromethyl)4((E)(4methoxy3(2233tetrafluoropropoxymethyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((2233tetrafluoropropoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
828277958
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COCC(C(F)F)(F)F
COc1ccc(cc1COCC(C(F)F)(F)F)C=Nn1c(S)nnc1C(F)F
InChI=1SC15H14F6N4O2Sc12610328(49(10)627715(2021)13(18)19)5222512(11(16)17)232414(25)28h251113H67H21H3(H2428)b225+
MFCD04056286
ZINC000002789882
ZINC2789881

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Available files

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