Vitas-M small molecule compound
benzyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK064772
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccncc1)C(=O)OCc1ccccc1)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 C30H28N2O4 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4/c1-19-27(30(34)36-18-20-6-4-3-5-7-20)28(22-12-14-31-15-13-22)29-25(32-19)16-23(17-26(29)33)21-8-10-24(35-2)11-9-21/h3-15,23,28,32H,16-18H2,1-2H3InChIKey
PUARWPKLEFMKBM-UHFFFAOYSA-NSynonyms
benzyl7(4methoxyphenyl)2methyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
benzyl7(4methoxyphenyl)2methyl5oxo4pyridin4yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=NC=C4)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccncc1)C(=O)OCc1ccccc1)C
InChI=1SC30H28N2O4c11927(30(34)3618206435720)28(22121431151322)2925(3219)1623(1726(29)33)2181024(352)11921h315232832H1618H212H3
MFCD01529763
STK064772
ZINC000000853787
ZINC000000853790
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