Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK129838
SMILES O=C(c1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccccc1)c1ccco1
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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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c26-17(15-8-9-18-20(13-15)29-12-11-28-18)14-30-22-24-23-21(19-7-4-10-27-19)25(22)16-5-2-1-3-6-16/h1-10,13H,11-12,14H2InChIKey
NKRXTPXULRNKAO-UHFFFAOYSA-NSynonyms
1(23DIHYDRO14BENZODIOXIN6YL)2((5(2FURYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDRO14BENZODIOXIN6YL)2((5(FURAN2YL)4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDRO14BENZODIOXIN6YL)2((5(FURAN2YL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5
InChI=1SC22H17N3O4Sc2617(15891820(1315)2912112818)143022242321(1974102719)25(22)165213616h11013H111214H2
MFCD03368409
ZINC000000643446
ZINC00643446
ZINC643446
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