Vitas-M small molecule compound

4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173873
SMILES Fc1cccc(c1/C=N/n1c(S)nnc1C(F)F)Cl

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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 C10H6ClF3N4S MW 306.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H6ClF3N4S/c11-6-2-1-3-7(12)5(6)4-15-18-9(8(13)14)16-17-10(18)19/h1-4,8H,(H,17,19)/b15-4+
InChIKey
ILYYTVUGBNXYSH-SYZQJQIISA-N
Synonyms
828276-22-8
4(((E)(2chloro6fluorophenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(2chloro6fluorophenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828276228
C1=CC(=C(C(=C1)Cl)C=NN2C(=NNC2=S)C(F)F)F
Fc1cccc(c1C=Nn1c(S)nnc1C(F)F)Cl
InChI=1SC10H6ClF3N4Sc1162137(12)5(6)415189(8(13)14)161710(18)19h148H(H1719)b154+
MFCD04056257
ZINC000002789644
ZINC2789643

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Available files

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