Vitas-M small molecule compound
4-(2-bromo-4,5-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK067550
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C#N)c1cc(OC)c(cc1Br)OC
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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 C26H25BrN2O4 MW 509.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O4/c1-14-19(13-28)25(18-11-23(32-3)24(33-4)12-20(18)27)26-21(29-14)9-16(10-22(26)30)15-5-7-17(31-2)8-6-15/h5-8,11-12,16,25,29H,9-10H2,1-4H3InChIKey
HVOWACBDIFODHS-UHFFFAOYSA-NSynonyms
4(2bromo45dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(2bromo45dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4Br)OC)OC)C#N
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C#N)c1cc(OC)c(cc1Br)OC
InChI=1SC26H25BrN2O4c11419(1328)25(181123(323)24(334)1220(18)27)2621(2914)916(1022(26)30)155717(312)8615h581112162529H910H214H3
MFCD01528050
STK067550
ZINC000001082044
ZINC000001082047
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