Vitas-M small molecule compound

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

Catalog ID
STK445783
SMILES Cc1ccc(cc1)Cn1c(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 C18H17ClFN3S2 MW 393.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN3S2/c1-12-2-4-13(5-3-12)9-23-17(21-22-18(23)24)11-25-10-14-6-7-15(20)8-16(14)19/h2-8H,9-11H2,1H3,(H,22,24)
InChIKey
QTOHTTWYXZOORP-UHFFFAOYSA-N
Synonyms
3((2chloro4fluorophenyl)methylsulfanylmethyl)4((4methylphenyl)methyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(4methylbenzyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4((4METHYLPHENYL)METHYL)124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CN2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
Registry IDs
MFCD04058358
ZINC000006788339
ZINC06788339
ZINC6788339

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Available files

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