Vitas-M small molecule compound

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

Catalog ID
STK402939
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccccc1OC

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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 C25H27NO4S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S/c1-4-11-30-25(28)22-15(2)26-18-13-16(17-8-5-6-9-20(17)29-3)14-19(27)23(18)24(22)21-10-7-12-31-21/h5-10,12,16,24,26H,4,11,13-14H2,1-3H3
InChIKey
AISMWPYDQOWCRL-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC25H27NO4Sc14113025(28)2215(2)26181316(17856920(17)293)1419(27)23(18)24(22)21107123121h51012162426H4111314H213H3
MFCD03370968
propyl7(2methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl7(2methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000003639478
ZINC000003639487

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Available files

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