Vitas-M small molecule compound

2-ethoxyethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402820
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)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 C26H26F3NO4S MW 505.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F3NO4S/c1-3-33-10-11-34-25(32)22-15(2)30-19-13-17(21-5-4-12-35-21)14-20(31)24(19)23(22)16-6-8-18(9-7-16)26(27,28)29/h4-9,12,17,23,30H,3,10-11,13-14H2,1-2H3
InChIKey
ZSXSLHQJTCCXHM-UHFFFAOYSA-N
Synonyms

2ethoxyethyl2methyl5oxo7(thiophen2yl)4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
2ethoxyethyl2methyl5oxo7thiophen2yl4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(F)(F)F)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC26H26F3NO4Sc133310113425(32)2215(2)30191317(2154123521)1420(31)24(19)23(22)166818(9716)26(2728)29h4912172330H310111314H212H3
MFCD03370905
ZINC000020169165
ZINC000020169169

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Available files

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