Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK038821
SMILES O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CCC2)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 C22H21NO3S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO3S/c1-14-19(22(25)26-13-15-7-3-2-4-8-15)21(18-11-6-12-27-18)20-16(23-14)9-5-10-17(20)24/h2-4,6-8,11-12,21,23H,5,9-10,13H2,1H3InChIKey
YECVJGFDPDWYFK-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4
InChI=1SC22H21NO3Sc11419(22(25)2613157324815)21(18116122718)2016(2314)951017(20)24h246811122123H591013H21H3
MFCD00771232
O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CCC2)OCc1ccccc1
STK038821
ZINC000019867100
ZINC000019867103
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