Vitas-M small molecule compound

2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromopyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK755560
SMILES N#CC1=C(N)N(c2ccc(cn2)Br)C2=C(C1c1ccc3c(c1)OCO3)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 C22H17BrN4O3 MW 465.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O3/c23-13-5-7-19(26-10-13)27-15-2-1-3-16(28)21(15)20(14(9-24)22(27)25)12-4-6-17-18(8-12)30-11-29-17/h4-8,10,20H,1-3,11,25H2
InChIKey
AGEHTOIMUBUVAJ-UHFFFAOYSA-N
Synonyms

2amino4(13benzodioxol5yl)1(5bromopyridin2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(5bromopyridin2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC22H17BrN4O3c23135719(261013)271521316(28)21(15)20(14(924)22(27)25)12461718(812)30112917h481020H131125H2
MFCD00828413
ZINC000001058104
ZINC000001058108

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Available files

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