Vitas-M small molecule compound
4-(2-bromo-4,5-dimethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK363601
SMILES N#CC1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)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 C25H22BrClN2O3 MW 513.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrClN2O3/c1-13-18(12-28)24(17-10-22(31-2)23(32-3)11-19(17)26)25-20(29-13)8-15(9-21(25)30)14-4-6-16(27)7-5-14/h4-7,10-11,15,24,29H,8-9H2,1-3H3InChIKey
PGLQIJCDAXDIOU-UHFFFAOYSA-NSynonyms
4(2bromo45dimethoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(2bromo45dimethoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4Br)OC)OC)C#N
InChI=1SC25H22BrClN2O3c11318(1228)24(171022(312)23(323)1119(17)26)2520(2913)815(921(25)30)144616(27)7514h471011152429H89H213H3
MFCD01445704
ZINC000001082006
ZINC000001082009
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