Vitas-M small molecule compound

5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(2-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445800
SMILES CCOc1ccccc1n1c(CSCc2ccc(cc2Cl)F)nnc1S

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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 C18H17ClFN3OS2 MW 409.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN3OS2/c1-2-24-16-6-4-3-5-15(16)23-17(21-22-18(23)25)11-26-10-12-7-8-13(20)9-14(12)19/h3-9H,2,10-11H2,1H3,(H,22,25)
InChIKey
LGYMXAVCLZXLKM-UHFFFAOYSA-N
Synonyms

3((2chloro4fluorophenyl)methylsulfanylmethyl)4(2ethoxyphenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(2ethoxyphenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(2ETHOXYPHENYL)124TRIAZOLE3THIOL
CCOC1=CC=CC=C1N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC18H17ClFN3OS2c122416643515(16)2317(212218(23)25)112610127813(20)914(12)19h39H21011H21H3(H2225)
MFCD04058424
ZINC000006393952
ZINC06393952
ZINC6393952

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Available files

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