Vitas-M small molecule compound

ethyl 4-(biphenyl-4-yl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK371675
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccc(cc1)c1ccccc1)C(=O)CCC2

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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 C26H27NO3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3/c1-3-20-25(26(29)30-4-2)23(24-21(27-20)11-8-12-22(24)28)19-15-13-18(14-16-19)17-9-6-5-7-10-17/h5-7,9-10,13-16,23,27H,3-4,8,11-12H2,1-2H3
InChIKey
MPRDLLRZFVZTRD-UHFFFAOYSA-N
Synonyms

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC
ethyl2ethyl5oxo4(4phenylphenyl)4678tetrahydro1Hquinoline3carboxylate
ethyl4(biphenyl4yl)2ethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC26H27NO3c132025(26(29)3042)23(2421(2720)1181222(24)28)19151318(141619)1796571017h5791013162327H3481112H212H3
MFCD00337147
ZINC000019314825
ZINC000019314828

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Available files

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