Vitas-M small molecule compound

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

Catalog ID
STK445643
SMILES COc1cccc(c1)n1c(CSCc2ccccc2C)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 C18H19N3OS2 MW 357.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3OS2/c1-13-6-3-4-7-14(13)11-24-12-17-19-20-18(23)21(17)15-8-5-9-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKey
PHQPLZZJJUEXAY-UHFFFAOYSA-N
Synonyms

4(3methoxyphenyl)3((2methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(3methoxyphenyl)5(((2methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(3METHOXYPHENYL)5(((2METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=CC=C1CSCC2=NNC(=S)N2C3=CC(=CC=C3)OC
InChI=1SC18H19N3OS2c113634714(13)11241217192018(23)21(17)1585916(1015)222h310H1112H212H3(H2023)
MFCD04058029
ZINC000006401712
ZINC06401712
ZINC6401712

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Available files

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