Vitas-M small molecule compound

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

Catalog ID
STK446152
SMILES Cc1ccc(cc1)CSCc1nnc(n1c1cc(Cl)cc(c1)Cl)S

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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 C17H15Cl2N3S2 MW 396.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl2N3S2/c1-11-2-4-12(5-3-11)9-24-10-16-20-21-17(23)22(16)15-7-13(18)6-14(19)8-15/h2-8H,9-10H2,1H3,(H,21,23)
InChIKey
NAADBVGQNOFOKH-UHFFFAOYSA-N
Synonyms

4(35dichlorophenyl)3((4methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(35dichlorophenyl)5(((4methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(35DICHLOROPHENYL)5(((4METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC(=CC(=C3)Cl)Cl
InChI=1SC17H15Cl2N3S2c1112412(5311)9241016202117(23)22(16)15713(18)614(19)815h28H910H21H3(H2123)
MFCD04058495
ZINC000006400739
ZINC06400739
ZINC6400739

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Available files

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