Vitas-M small molecule compound

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

Catalog ID
STK051869
SMILES Clc1ccc(cc1)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 C22H24ClNO4 MW 401.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClNO4/c1-13-19(22(26)28-12-16-4-3-11-27-16)20(14-7-9-15(23)10-8-14)21-17(24-13)5-2-6-18(21)25/h7-10,16,20,24H,2-6,11-12H2,1H3
InChIKey
XQSTWVIBYHXLDF-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Cl)C(=O)OCC4CCCO4
Clc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
InChI=1SC22H24ClNO4c11319(22(26)28121643112716)20(147915(23)10814)2117(2413)52618(21)25h710162024H261112H21H3
MFCD01445719
oxolan2ylmethyl4(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK051869
tetrahydrofuran2ylmethyl4(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019760613
ZINC000019760623

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Available files

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