Vitas-M small molecule compound
1-(5-bromopyridin-2-yl)-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781521
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)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 C27H22BrFN4O MW 517.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrFN4O/c1-27(2)13-21-25(22(34)14-27)24(17-6-5-7-19(29)12-17)20(15-30)26(32-10-3-4-11-32)33(21)23-9-8-18(28)16-31-23/h3-12,16,24H,13-14H2,1-2H3InChIKey
LKDZEVPQKPJJQP-UHFFFAOYSA-NSynonyms
1(5bromopyridin2yl)4(3fluorophenyl)77dimethyl5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(5BROMOPYRIDIN2YL)4(3FLUOROPHENYL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N4C=CC=C4)C#N)C5=CC(=CC=C5)F)C(=O)C1)C
InChI=1SC27H22BrFN4Oc127(2)132125(22(34)1427)24(1765719(29)1217)20(1530)26(3210341132)33(21)239818(28)163123h3121624H1314H212H3
MFCD06015244
ZINC000012402323
ZINC000012402324
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