Vitas-M small molecule compound

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

Catalog ID
STL340370
SMILES Cc1ccc(cc1)CSc1nnc(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/c1-12-5-7-13(8-6-12)11-21-16-19-18-15(20(16)2)14-4-3-9-17-10-14/h3-10H,11H2,1-2H3
InChIKey
KICICTPXMXPUTC-UHFFFAOYSA-N
Synonyms
577766-42-8
3(4METHYL5(((4METHYLPHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
3(4methyl5((4methylbenzyl)sulfanyl)4H124triazol3yl)pyridine
3(4methyl5((4methylbenzyl)thio)4H124triazol3yl)pyridine
3(4METHYL5((4METHYLPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4METHYL3((4METHYLPHENYL)METHYLTHIO)5(3PYRIDYL)124TRIAZOLE
577766428
CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CN=CC=C3
InChI=1SC16H16N4Sc1125713(8612)112116191815(20(16)2)14439171014h310H11H212H3
MFCD04019042
ZINC000000529753
ZINC00529753
ZINC529753

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Available files

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