Vitas-M small molecule compound
methyl 7-(4-methoxyphenyl)-2-methyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373419
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc2c1cccc2)C(=O)OC)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 C29H27NO4 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4/c1-17-26(29(32)34-3)27(23-10-6-8-19-7-4-5-9-22(19)23)28-24(30-17)15-20(16-25(28)31)18-11-13-21(33-2)14-12-18/h4-14,20,27,30H,15-16H2,1-3H3InChIKey
GIERQWPCPRRVJW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC5=CC=CC=C54)C(=O)OC
InChI=1SC29H27NO4c11726(29(32)343)27(23106819745922(19)23)2824(3017)1520(1625(28)31)18111321(332)141218h414202730H1516H213H3
methyl7(4methoxyphenyl)2methyl4(naphthalen1yl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4methoxyphenyl)2methyl4naphthalen1yl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00718168
ZINC000019804971
ZINC000019804977
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