Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-4,7-di(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403112
SMILES O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1cccs1)OCc1ccccc1
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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 C26H23NO3S2 MW 461.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO3S2/c1-16-23(26(29)30-15-17-7-3-2-4-8-17)25(22-10-6-12-32-22)24-19(27-16)13-18(14-20(24)28)21-9-5-11-31-21/h2-12,18,25,27H,13-15H2,1H3InChIKey
HJJCPWIUDNTIGO-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo47di(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo47dithiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC26H23NO3S2c11623(26(29)3015177324817)25(22106123222)2419(2716)1318(1420(24)28)2195113121h212182527H1315H21H3
MFCD03371089
ZINC000001156066
ZINC000001156069
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