Vitas-M small molecule compound

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

Catalog ID
STK363593
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)c1ccccc1

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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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-17-24(27(30)33-14-13-31-2)25(19-9-11-21(32-3)12-10-19)26-22(28-17)15-20(16-23(26)29)18-7-5-4-6-8-18/h4-12,20,25,28H,13-16H2,1-3H3
InChIKey
UFWZNGZHLGPJHI-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(4methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methoxyethyl4(4methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)OCCOC
InChI=1SC27H29NO5c11724(27(30)331413312)25(1991121(323)121019)2622(2817)1520(1623(26)29)187546818h412202528H1316H213H3
MFCD00771458
ZINC000002928365
ZINC000019770437

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Available files

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