Vitas-M small molecule compound

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

Catalog ID
STK481776
SMILES COc1cccc(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 C16H16N4OS MW 312.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4OS/c1-20-15(14-8-3-4-9-17-14)18-19-16(20)22-11-12-6-5-7-13(10-12)21-2/h3-10H,11H2,1-2H3
InChIKey
XASDCOLYQIJDEY-UHFFFAOYSA-N
Synonyms

1METHOXY3((4METHYL5(2PYRIDYL)(124TRIAZOL3YLTHIO))METHYL)BENZENE
2(5((3methoxybenzyl)sulfanyl)4methyl4H124triazol3yl)pyridine
2(5((3METHOXYPHENYL)METHYLSULFANYL)4METHYL124TRIAZOL3YL)PYRIDINE
CN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CC=CC=N3
InChI=1SC16H16N4OSc12015(1483491714)181916(20)22111265713(1012)212h310H11H212H3
MFCD06074621
ZINC000006725998
ZINC06725998
ZINC6725998

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Available files

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