Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK246266
SMILES CC(Cn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1ccco1)C
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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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-15(2)12-25-20(18-8-5-11-27-18)22-23-21(25)28-14-19(26)24-10-9-16-6-3-4-7-17(16)13-24/h3-8,11,15H,9-10,12-14H2,1-2H3InChIKey
CFCUJGWNOCEXIT-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((5(furan2yl)4(2methylpropyl)124triazol3yl)sulfanyl)ethanone
1(34DIHYDRO1HISOQUINOLIN2YL)2(5FURAN2YL4ISOBUTYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(34dihydroisoquinolin2(1H)yl)2((5(furan2yl)4(2methylpropyl)4H124triazol3yl)sulfanyl)ethanone
CC(C)CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CO4
InChI=1SC21H24N4O2Sc115(2)122520(1885112718)222321(25)281419(26)2410916634717(16)1324h381115H9101214H212H3
MFCD08683911
ZINC000008389317
ZINC08389317
ZINC8389317
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