Vitas-M small molecule compound

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

Catalog ID
STL339752
SMILES Cc1cccc(c1)CSc1nnc(n1C)c1ccccn1

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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/c1-12-6-5-7-13(10-12)11-21-16-19-18-15(20(16)2)14-8-3-4-9-17-14/h3-10H,11H2,1-2H3
InChIKey
KGAKDRBNAZTLRJ-UHFFFAOYSA-N
Synonyms
676643-63-3
2(4METHYL5(((3METHYLPHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
2(4methyl5((3methylbenzyl)sulfanyl)4H124triazol3yl)pyridine
2(4methyl5((3methylbenzyl)thio)4H124triazol3yl)pyridine
2(4METHYL5((3METHYLPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4METHYL3((3METHYLPHENYL)METHYLTHIO)5(2PYRIDYL)124TRIAZOLE
676643633
CC1=CC(=CC=C1)CSC2=NN=C(N2C)C3=CC=CC=N3
InChI=1SC16H16N4Sc11265713(1012)112116191815(20(16)2)1483491714h310H11H212H3
MFCD04013657
ZINC000000526961
ZINC00526961
ZINC526961

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Available files

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