Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4,5-diphenyl-4H-1,2,4-triazole
Catalog ID
STK734359
SMILES c1ccc(cc1)n1c(SCc2ccc3c(c2)OCO3)nnc1c1ccccc1
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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 C22H17N3O2S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O2S/c1-3-7-17(8-4-1)21-23-24-22(25(21)18-9-5-2-6-10-18)28-14-16-11-12-19-20(13-16)27-15-26-19/h1-13H,14-15H2InChIKey
OLJGDOBIJSYBKN-UHFFFAOYSA-NSynonyms
3((13benzodioxol5ylmethyl)sulfanyl)45diphenyl4H124triazole
3(13BENZODIOXOL5YLMETHYLSULFANYL)45DIPHENYL124TRIAZOLE
C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC22H17N3O2Sc13717(841)21232422(25(21)1895261018)28141611121920(1316)27152619h113H1415H2
MFCD01418234
ZINC000001061928
ZINC01061928
ZINC1061928
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