Vitas-M small molecule compound

ethyl 4-[4-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK368847
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CC(C2)(C)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-5-32-27(31)24-18(2)29-22-15-28(3,4)16-23(30)26(22)25(24)20-11-13-21(14-12-20)33-17-19-9-7-6-8-10-19/h6-14,25,29H,5,15-17H2,1-4H3
InChIKey
AOGQNRPFLLDBII-UHFFFAOYSA-N
Synonyms
294197-66-3
294197663
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)C
ethyl277trimethyl5oxo4(4phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
ethyl4(4(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC28H31NO4c153227(31)2418(2)29221528(34)1623(30)26(22)25(24)20111321(141220)33171997681019h6142529H51517H214H3
MFCD00320697
ZINC000020027281
ZINC000020027282

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Available files

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