Vitas-M small molecule compound

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

Catalog ID
STK665854
SMILES c1ccc(cc1)Cn1c(SCc2ccc3c(n2)cccc3)nnc1Cc1ccccc1

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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 C26H22N4S MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4S/c1-3-9-20(10-4-1)17-25-28-29-26(30(25)18-21-11-5-2-6-12-21)31-19-23-16-15-22-13-7-8-14-24(22)27-23/h1-16H,17-19H2
InChIKey
FIWKQLOJDSMIGS-UHFFFAOYSA-N
Synonyms

2(((45dibenzyl4H124triazol3yl)sulfanyl)methyl)quinoline
2((45dibenzyl124triazol3yl)sulfanylmethyl)quinoline
45BISBENZYL3(2QUINOLYLMETHYLTHIO)124TRIAZOLE
C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C=C4
InChI=1SC26H22N4Sc13920(1041)1725282926(30(25)1821115261221)31192316152213781424(22)2723h116H1719H2
MFCD12034036
ZINC000015108891
ZINC15108891

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Available files

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