Vitas-M small molecule compound
1-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK686065
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cscc1)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)11-19-23(20(31)12-25)22(16-7-10-32-15-16)18(13-27)24(29-8-3-4-9-29)30(19)21-6-5-17(26)14-28-21/h3-10,14-15,22H,11-12H2,1-2H3InChIKey
SICNYGCMODWBND-UHFFFAOYSA-NSynonyms
1(5bromopyridin2yl)77dimethyl5oxo2(1Hpyrrol1yl)4(thiophen3yl)145678hexahydroquinoline3carbonitrile
1(5BROMOPYRIDIN2YL)77DIMETHYL5OXO2PYRROL1YL4THIOPHEN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N4C=CC=C4)C#N)C5=CSC=C5)C(=O)C1)C
InChI=1SC25H21BrN4OSc125(2)111923(20(31)1225)22(16710321516)18(1327)24(29834929)30(19)216517(26)142821h310141522H1112H212H3
MFCD06014430
ZINC000001432883
ZINC000001432884
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