Vitas-M small molecule compound

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

Catalog ID
STK363384
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1

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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 C26H27NO5 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5/c1-17-23(26(29)32-16-15-31-18-9-4-3-5-10-18)24(19-11-6-7-14-22(19)30-2)25-20(27-17)12-8-13-21(25)28/h3-7,9-11,14,24,27H,8,12-13,15-16H2,1-2H3
InChIKey
SRCMIDZIPNJARG-UHFFFAOYSA-N
Synonyms

2phenoxyethyl4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC)C(=O)OCCOC4=CC=CC=C4
InChI=1SC26H27NO5c11723(26(29)321615311894351018)24(1911671422(19)302)2520(2717)1281321(25)28h37911142427H812131516H212H3
MFCD01367233
ZINC000002083517
ZINC000002083518

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Available files

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