Vitas-M small molecule compound

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

Catalog ID
STK445609
SMILES Clc1ccc(c(c1)Cl)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 C17H15Cl2N3S2 MW 396.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl2N3S2/c1-11-4-2-3-5-12(11)9-24-10-16-20-21-17(23)22(16)15-7-6-13(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,21,23)
InChIKey
MICSLPZSTRTSPV-UHFFFAOYSA-N
Synonyms

4(24dichlorophenyl)3((2methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(24dichlorophenyl)5(((2methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(24DICHLOROPHENYL)5(((2METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=CC=C1CSCC2=NNC(=S)N2C3=C(C=C(C=C3)Cl)Cl
InChI=1SC17H15Cl2N3S2c111423512(11)9241016202117(23)22(16)157613(18)814(15)19h28H910H21H3(H2123)
MFCD04057643
ZINC000006401698
ZINC06401698
ZINC6401698

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Available files

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