Vitas-M small molecule compound
1-(4-bromo-2-methylphenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781413
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CCC2)c1ccc(cc1C)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 C27H21BrFN3O MW 502.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrFN3O/c1-17-14-19(28)10-11-22(17)32-23-8-5-9-24(33)26(23)25(18-6-4-7-20(29)15-18)21(16-30)27(32)31-12-2-3-13-31/h2-4,6-7,10-15,25H,5,8-9H2,1H3InChIKey
GBHLIEQMFAQHKY-UHFFFAOYSA-NSynonyms
1(4bromo2methylphenyl)4(3fluorophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(4bromo2methylphenyl)4(3fluorophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC(=CC=C5)F)C(=O)CCC3
InChI=1SC27H21BrFN3Oc1171419(28)101122(17)322385924(33)26(23)25(1864720(29)1518)21(1630)27(32)3112231331h2467101525H589H21H3
MFCD06015025
ZINC000012445884
ZINC000012445886
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