Vitas-M small molecule compound

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

Catalog ID
STK378082
SMILES COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1

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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 C23H27NO6 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO6/c1-13-20(23(27)30-12-15-5-4-10-29-15)21(14-8-9-19(28-2)18(26)11-14)22-16(24-13)6-3-7-17(22)25/h8-9,11,15,21,24,26H,3-7,10,12H2,1-2H3
InChIKey
ZIKSLMBISIHCGH-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)O)C(=O)OCC4CCCO4
InChI=1SC23H27NO6c11320(23(27)30121554102915)21(148919(282)18(26)1114)2216(2413)63717(22)25h891115212426H371012H212H3
MFCD01656025
oxolan2ylmethyl4(3hydroxy4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3hydroxy4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019772492
ZINC000100084617

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Available files

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