Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403533
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1Cl
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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 C25H22ClNO5 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClNO5/c1-13-22(25(29)30-2)23(14-7-8-20-21(11-14)32-12-31-20)24-18(27-13)9-15(10-19(24)28)16-5-3-4-6-17(16)26/h3-8,11,15,23,27H,9-10,12H2,1-2H3InChIKey
SNASITJJMNGRAI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C4=CC5=C(C=C4)OCO5)C(=O)OC
InChI=1SC25H22ClNO5c11322(25(29)302)23(14782021(1114)32123120)2418(2713)915(1019(24)28)16534617(16)26h3811152327H91012H212H3
methyl4(13benzodioxol5yl)7(2chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)7(2chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03489401
ZINC000001077674
ZINC000001077678
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