Vitas-M small molecule compound

4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK415373
SMILES Cc1cc(ccc1C)n1c(C)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 C11H13N3S MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3S/c1-7-4-5-10(6-8(7)2)14-9(3)12-13-11(14)15/h4-6H,1-3H3,(H,13,15)
InChIKey
CPHBGQISCIQHMZ-UHFFFAOYSA-N
Synonyms
663181-78-0
4(34DIMETHYLPHENYL)3METHYL1H124TRIAZOLE5THIONE
4(34DIMETHYLPHENYL)5METHYL124TRIAZOLE3THIOL
4(34dimethylphenyl)5methyl4H124triazole3thiol
663181780
CC1=C(C=C(C=C1)N2C(=NNC2=S)C)C
InChI=1SC11H13N3Sc174510(68(7)2)149(3)121311(14)15h46H13H3(H1315)
MFCD04055660
ZINC000005926663
ZINC05926663
ZINC5926663

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Available files

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