Vitas-M small molecule compound

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

Catalog ID
STK467786
SMILES Clc1ccc(cc1)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 C15H13ClN4S MW 316.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN4S/c1-20-14(13-4-2-3-9-17-13)18-19-15(20)21-10-11-5-7-12(16)8-6-11/h2-9H,10H2,1H3
InChIKey
MRCFSFXBUSIHTG-UHFFFAOYSA-N
Synonyms

2(5((4chlorobenzyl)sulfanyl)4methyl4H124triazol3yl)pyridine
2(5((4CHLOROPHENYL)METHYLSULFANYL)4METHYL124TRIAZOL3YL)PYRIDINE
3((4CHLOROPHENYL)METHYLTHIO)4METHYL5(2PYRIDYL)124TRIAZOLE
CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI=1SC15H13ClN4Sc12014(1342391713)181915(20)2110115712(16)8611h29H10H21H3
MFCD06144481
ZINC000006741497
ZINC06741497
ZINC6741497

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Available files

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