Vitas-M small molecule compound

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

Catalog ID
STK448410
SMILES COCCn1c(CSCc2ccc(cc2Cl)Cl)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 C13H15Cl2N3OS2 MW 364.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15Cl2N3OS2/c1-19-5-4-18-12(16-17-13(18)20)8-21-7-9-2-3-10(14)6-11(9)15/h2-3,6H,4-5,7-8H2,1H3,(H,17,20)
InChIKey
LWDXLLTZCXXITP-UHFFFAOYSA-N
Synonyms

3((24dichlorophenyl)methylsulfanylmethyl)4(2methoxyethyl)1H124triazole5thione
5(((24dichlorobenzyl)sulfanyl)methyl)4(2methoxyethyl)4H124triazole3thiol
5(((24DICHLOROPHENYL)METHYLTHIO)METHYL)4(2METHOXYETHYL)124TRIAZOLE3THIOL
COCCN1C(=NNC1=S)CSCC2=C(C=C(C=C2)Cl)Cl
InChI=1SC13H15Cl2N3OS2c119541812(161713(18)20)821792310(14)611(9)15h236H4578H21H3(H1720)
MFCD04141073
ZINC000017074859
ZINC17074859

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Available files

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