Vitas-M small molecule compound
4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK015495
SMILES N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C24H18BrClN2O3 MW 497.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrClN2O3/c1-12-17(10-27)23(16-8-21-22(9-18(16)25)31-11-30-21)24-19(28-12)6-14(7-20(24)29)13-2-4-15(26)5-3-13/h2-5,8-9,14,23,28H,6-7,11H2,1H3InChIKey
OWXPKWRWIKFOSM-UHFFFAOYSA-NSynonyms
4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Br)OCO5)C#N
InChI=1SC24H18BrClN2O3c11217(1027)23(1682122(918(16)25)31113021)2419(2812)614(720(24)29)132415(26)5313h2589142328H6711H21H3
MFCD01656007
N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)Cl
STK015495
ZINC000019830869
ZINC000019830872
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