Vitas-M small molecule compound

3-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine

Catalog ID
STK475370
SMILES Cc1ccccc1CSc1nnc(n1C)c1cccnc1

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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 C16H16N4S MW 296.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4S/c1-12-6-3-4-7-14(12)11-21-16-19-18-15(20(16)2)13-8-5-9-17-10-13/h3-10H,11H2,1-2H3
InChIKey
TYKWWZYFTKKMMJ-UHFFFAOYSA-N
Synonyms
573938-37-1
3(4METHYL5(((2METHYLPHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
3(4methyl5((2methylbenzyl)sulfanyl)4H124triazol3yl)pyridine
3(4METHYL5((2METHYLBENZYL)THIO)4H124TRIAZOL3YL)PYRIDINE
3(4METHYL5((2METHYLPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4METHYL3((2METHYLPHENYL)METHYLTHIO)5(3PYRIDYL)124TRIAZOLE
573938371
CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CN=CC=C3
InChI=1SC16H16N4Sc112634714(12)112116191815(20(16)2)13859171013h310H11H212H3
MFCD04020310
ZINC000000530052
ZINC00530052
ZINC530052

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Available files

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