Vitas-M small molecule compound

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

Catalog ID
STL379416
SMILES Clc1ccccc1OCCSc1nnc(n1C)c1ccncc1

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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 C16H15ClN4OS MW 346.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4OS/c1-21-15(12-6-8-18-9-7-12)19-20-16(21)23-11-10-22-14-5-3-2-4-13(14)17/h2-9H,10-11H2,1H3
InChIKey
RSCGYCXDXYXZMC-UHFFFAOYSA-N
Synonyms

4(5((2(2chlorophenoxy)ethyl)sulfanyl)4methyl4H124triazol3yl)pyridine
4(5((2(2CHLOROPHENOXY)ETHYL)THIO)4METHYL4H124TRIAZOL3YL)PYRIDINE
4(5(2(2CHLOROPHENOXY)ETHYLSULFANYL)4METHYL124TRIAZOL3YL)PYRIDINE
CN1C(=NN=C1SCCOC2=CC=CC=C2Cl)C3=CC=NC=C3
InChI=1SC16H15ClN4OSc12115(1268189712)192016(21)2311102214532413(14)17h29H1011H21H3
MFCD03997569
ZINC000002642478
ZINC02642478
ZINC2642478

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Available files

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