Vitas-M small molecule compound

2-amino-4-(3,4-dimethoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK754045
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2

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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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-32-20-10-9-14(11-21(20)33-2)22-17(13-25)24(26)27(18-7-4-8-19(29)23(18)22)15-5-3-6-16(12-15)28(30)31/h3,5-6,9-12,22H,4,7-8,26H2,1-2H3
InChIKey
IRUUGEXTSZNRQY-UHFFFAOYSA-N
Synonyms
311332-79-3
2amino4(34dimethoxyphenyl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(34dimethoxyphenyl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311332793
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N)OC
InChI=1SC24H22N4O5c1322010914(1121(20)332)2217(1325)24(26)27(1874819(29)23(18)22)1553616(1215)28(30)31h35691222H47826H212H3
MFCD00825008
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2
ZINC000001056437
ZINC000001056438

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Available files

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