Vitas-M small molecule compound
1-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK686064
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cn1)Br
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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 C25H21BrN4OS MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN4OS/c1-25(2)12-18-23(19(31)13-25)22(20-6-5-11-32-20)17(14-27)24(29-9-3-4-10-29)30(18)21-8-7-16(26)15-28-21/h3-11,15,22H,12-13H2,1-2H3InChIKey
LVDNZBBEIUTLGX-UHFFFAOYSA-NSynonyms
1(5bromopyridin2yl)77dimethyl5oxo2(1Hpyrrol1yl)4(thiophen2yl)145678hexahydroquinoline3carbonitrile1(5BROMOPYRIDIN2YL)77DIMETHYL5OXO2PYRROL1YL4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N4C=CC=C4)C#N)C5=CC=CS5)C(=O)C1)C
Registry IDs
MFCD06014429ZINC000001432881
ZINC000001432882
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