Vitas-M small molecule compound

2-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]benzonitrile

Catalog ID
STL565668
SMILES COc1c2c(CCN(C2Nc2ccccc2C#N)C)cc2c1OCO2

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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 C19H19N3O3 MW 337.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3/c1-22-8-7-12-9-15-17(25-11-24-15)18(23-2)16(12)19(22)21-14-6-4-3-5-13(14)10-20/h3-6,9,19,21H,7-8,11H2,1-2H3
InChIKey
CTFGTJIDRGRBCD-UHFFFAOYSA-N
Synonyms
904259-88-7
16405726
2((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)amino)benzonitrile
2((4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)amino)benzonitrile
904259887
InChI=1SC19H19N3O3c122871291517(25112415)18(232)16(12)19(22)2114643513(14)1020h3691921H7811H212H3
MFCD07637179
ZINC000004000500
ZINC000004000501

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.