Vitas-M small molecule compound

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

Catalog ID
STK701221
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1

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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 C23H22FNO3S MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FNO3S/c1-3-28-23(27)20-13(2)25-17-11-14(19-9-6-10-29-19)12-18(26)22(17)21(20)15-7-4-5-8-16(15)24/h4-10,14,21,25H,3,11-12H2,1-2H3
InChIKey
FASGRLKMAYCTLT-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3F)C(=O)CC(C2)C4=CC=CS4)C
ethyl4(2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H22FNO3Sc132823(27)2013(2)25171114(1996102919)1218(26)22(17)21(20)15745816(15)24h410142125H31112H212H3
MFCD02627345
ZINC000019847916
ZINC000019847922

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Available files

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