Vitas-M small molecule compound

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

Catalog ID
STK444533
SMILES Cc1ccc(cc1)Cn1c(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/c1-8-3-5-10(6-4-8)7-14-9(2)12-13-11(14)15/h3-6H,7H2,1-2H3,(H,13,15)
InChIKey
RUINYNQLZXNSAN-UHFFFAOYSA-N
Synonyms

3methyl4((4methylphenyl)methyl)1H124triazole5thione
5METHYL4((4METHYLPHENYL)METHYL)124TRIAZOLE3THIOL
5methyl4(4methylbenzyl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C(=NNC2=S)C
InChI=1SC11H13N3Sc183510(648)7149(2)121311(14)15h36H7H212H3(H1315)
MFCD04055659
ZINC000006788332
ZINC06788332
ZINC6788332

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Available files

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