Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402954
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OCC1CCCO1)C
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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 C27H29NO5S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5S/c1-16-24(27(30)33-15-18-7-5-11-32-18)26(23-10-6-12-34-23)25-20(28-16)13-17(14-21(25)29)19-8-3-4-9-22(19)31-2/h3-4,6,8-10,12,17-18,26,28H,5,7,11,13-15H2,1-2H3InChIKey
YTFQSSCJKLUBAS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CS4)C(=O)OCC5CCCO5
InChI=1SC27H29NO5Sc11624(27(30)33151875113218)26(23106123423)2520(2816)1317(1421(25)29)19834922(19)312h3468101217182628H57111315H212H3
MFCD03145473
oxolan2ylmethyl7(2methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(2methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000001152189
ZINC000239433927
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