Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761154
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccccc1C#N
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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 C26H22N4O3 MW 438.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3/c1-26(2)10-19-24(20(31)11-26)23(15-7-8-21-22(9-15)33-14-32-21)17(13-28)25(29)30(19)18-6-4-3-5-16(18)12-27/h3-9,23H,10-11,14,29H2,1-2H3InChIKey
XRPSFZUBQWPRSH-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(2cyanophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)1(2CYANOPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C#N)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC26H22N4O3c126(2)101924(20(31)1126)23(15782122(915)33143221)17(1328)25(29)30(19)18643516(18)1227h3923H10111429H212H3
MFCD01820676
ZINC000000716495
ZINC000000716496
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