Vitas-M small molecule compound

4-(2-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444111
SMILES CCOc1ccccc1n1c(CCc2ccccc2)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 C18H19N3OS MW 325.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3OS/c1-2-22-16-11-7-6-10-15(16)21-17(19-20-18(21)23)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)
InChIKey
WBURNVPCQHREQH-UHFFFAOYSA-N
Synonyms

4(2ethoxyphenyl)3(2phenylethyl)1H124triazole5thione
4(2ETHOXYPHENYL)5(2PHENYLETHYL)124TRIAZOLE3THIOL
4(2ethoxyphenyl)5(2phenylethyl)4H124triazole3thiol
CCOC1=CC=CC=C1N2C(=NNC2=S)CCC3=CC=CC=C3
InChI=1SC18H19N3OSc12221611761015(16)2117(192018(21)23)1312148435914h311H21213H21H3(H2023)
MFCD04055308
ZINC000006393928
ZINC06393928
ZINC6393928

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Available files

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