Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-5-[(2-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK230374
SMILES COc1ccccc1OCc1nnc(n1CC)SCC(=O)N1CCc2c(C1)cccc2
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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 C23H26N4O3S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3S/c1-3-27-21(15-30-20-11-7-6-10-19(20)29-2)24-25-23(27)31-16-22(28)26-13-12-17-8-4-5-9-18(17)14-26/h4-11H,3,12-16H2,1-2H3InChIKey
GNPCRTIQEAWFGB-UHFFFAOYSA-NSynonyms
1(34DIHYDRO1HISOQUINOLIN2YL)2((4ETHYL5((2METHOXYPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2((4ETHYL5((2METHOXYPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)COC4=CC=CC=C4OC
InChI=1SC23H26N4O3Sc132721(15302011761019(20)292)242523(27)311622(28)26131217845918(17)1426h411H31216H212H3
MFCD07790441
ZINC000009263555
ZINC09263555
ZINC9263555
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