Vitas-M small molecule compound

methyl 4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402454
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1OC)OC)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 C27H29NO6 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6/c1-15-24(27(30)34-5)25(20-11-10-19(32-3)14-23(20)33-4)26-21(28-15)12-17(13-22(26)29)16-6-8-18(31-2)9-7-16/h6-11,14,17,25,28H,12-13H2,1-5H3
InChIKey
CPUMYYAIGPYRJW-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OC)OC)C(=O)OC
InChI=1SC27H29NO6c11524(27(30)345)25(20111019(323)1423(20)334)2621(2815)1217(1322(26)29)166818(312)9716h61114172528H1213H215H3
methyl4(24dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(24dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445622
ZINC000000847635
ZINC000000847638
ZINC00847636

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.