Vitas-M small molecule compound
1-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK782443
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)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 C26H22BrN5O MW 500.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5O/c1-26(2)12-20-24(21(33)13-26)23(17-6-5-9-29-15-17)19(14-28)25(31-10-3-4-11-31)32(20)22-8-7-18(27)16-30-22/h3-11,15-16,23H,12-13H2,1-2H3InChIKey
STTNOPKHKSLGEN-UHFFFAOYSA-NSynonyms
1(5bromopyridin2yl)77dimethyl5oxo4(pyridin3yl)2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(5BROMOPYRIDIN2YL)77DIMETHYL5OXO4PYRIDIN3YL2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC26H22BrN5Oc126(2)122024(21(33)1326)23(17659291517)19(1428)25(3110341131)32(20)228718(27)163022h311151623H1213H212H3
MFCD06017609
ZINC000012402325
ZINC000012402326
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