Vitas-M small molecule compound
1-(4-bromo-2-methylphenyl)-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
STK783311
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)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 C28H25BrN4O MW 513.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN4O/c1-18-13-20(29)8-9-22(18)33-23-14-28(2,3)15-24(34)26(23)25(19-7-6-10-31-17-19)21(16-30)27(33)32-11-4-5-12-32/h4-13,17,25H,14-15H2,1-3H3InChIKey
YTEAQMPIZIPYHQ-UHFFFAOYSA-NSynonyms
1(4bromo2methylphenyl)77dimethyl5oxo4(pyridin3yl)2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(4BROMO2METHYLPHENYL)77DIMETHYL5OXO4PYRIDIN3YL2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)CC(C3)(C)C
InChI=1SC28H25BrN4Oc1181320(29)8922(18)33231428(23)1524(34)26(23)25(197610311719)21(1630)27(33)3211451232h4131725H1415H213H3
MFCD06618039
ZINC000012445888
ZINC000012445890
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