Vitas-M small molecule compound
2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6-ethyl-5-methylpyridine-3-carbonitrile
Catalog ID
STK840323
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc(CC)c(cc1C#N)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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-5-18-14(2)8-16(11-23)22(24-18)29-13-21(26)25-7-6-15-9-19(27-3)20(28-4)10-17(15)12-25/h8-10H,5-7,12-13H2,1-4H3InChIKey
VXICEDNIXASOFW-UHFFFAOYSA-NSynonyms
370573-77-62((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)6ethyl5methylpyridine3carbonitrile
2((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)6ethyl5methylnicotinonitrile
2(2(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL6ETHYL5METHYLPYRIDINE3CARBONITRILE
2(2(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYLSULFANYL)6ETHYL5METHYLNICOTINONITRILE
370573776
CCC1=C(C=C(C(=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C
InChI=1SC22H25N3O3Sc151814(2)816(1123)22(2418)291321(26)257615919(273)20(284)1017(15)1225h810H571213H214H3
MFCD02950670
ZINC000000803750
ZINC00803750
ZINC803750
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