Vitas-M small molecule compound

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

Catalog ID
STL173806
SMILES Fc1ccc(cc1)/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 C10H7F3N4S MW 272.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7F3N4S/c11-7-3-1-6(2-4-7)5-14-17-9(8(12)13)15-16-10(17)18/h1-5,8H,(H,16,18)/b14-5+
InChIKey
VFQJJRBERKQICN-LHHJGKSTSA-N
Synonyms
828275-86-1
3(difluoromethyl)4((E)(4fluorophenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4fluorophenyl)methylidene)amino)4H124triazole3thiol
828275861
C1=CC(=CC=C1C=NN2C(=NNC2=S)C(F)F)F
Fc1ccc(cc1)C=Nn1c(S)nnc1C(F)F
InChI=1SC10H7F3N4Sc117316(247)514179(8(12)13)151610(17)18h158H(H1618)b145+
MFCD04047888
ZINC000002789513
ZINC2789512

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Available files

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