Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK402490
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C#N)C
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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 C25H22N2O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4/c1-14-19(12-26)24(16-5-8-22-23(11-16)31-13-30-22)25-20(27-14)9-17(10-21(25)28)15-3-6-18(29-2)7-4-15/h3-8,11,17,24,27H,9-10,13H2,1-2H3InChIKey
QUAPJVSHCMBROG-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C#N
InChI=1SC25H22N2O4c11419(1226)24(16582223(1116)31133022)2520(2714)917(1021(25)28)153618(292)7415h3811172427H91013H212H3
MFCD01572223
ZINC000019830842
ZINC000019830845
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