Vitas-M small molecule compound
2-{[(E)-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL352950
SMILES COc1cc2CN(CCc2cc1OC)/C=N/c1sc2c(c1C#N)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-25-18-9-14-7-8-24(12-15(14)10-19(18)26-2)13-23-21-17(11-22)16-5-3-4-6-20(16)27-21/h9-10,13H,3-8,12H2,1-2H3/b23-13+InChIKey
NUYPDAOGXMTYSE-YDZHTSKRSA-NSynonyms
519167-41-0(E)2(((67dimethoxy34dihydroisoquinolin2(1H)yl)methylene)amino)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(((E)(67dimethoxy34dihydroisoquinolin2(1H)yl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(67dimethoxy34dihydro1Hisoquinolin2yl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
519167410
COC1=C(C=C2CN(CCC2=C1)C=NC3=C(C4=C(S3)CCCC4)C#N)OC
COc1cc2CN(CCc2cc1OC)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC21H23N3O2Sc125189147824(1215(14)1019(18)262)13232117(1122)16534620(16)2721h91013H3812H212H3b2313+
MFCD02602112
ZINC000100569260
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