Vitas-M small molecule compound

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

Catalog ID
STK402921
SMILES COC(=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 C23H23NO4S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4S/c1-13-20(23(26)28-3)22(19-9-6-10-29-19)21-16(24-13)11-14(12-17(21)25)15-7-4-5-8-18(15)27-2/h4-10,14,22,24H,11-12H2,1-3H3
InChIKey
XWELREAAZOGAJP-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CS4)C(=O)OC
InChI=1SC23H23NO4Sc11320(23(26)283)22(1996102919)2116(2413)1114(1217(21)25)15745818(15)272h410142224H1112H213H3
methyl7(2methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl7(2methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD03370952
ZINC000100623248
ZINC000100623252

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Available files

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