Vitas-M small molecule compound
4-methoxybenzyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402911
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1
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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 C29H26FNO4S MW 503.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FNO4S/c1-17-26(29(33)35-16-18-9-11-20(34-2)12-10-18)27(21-6-3-4-7-22(21)30)28-23(31-17)14-19(15-24(28)32)25-8-5-13-36-25/h3-13,19,27,31H,14-16H2,1-2H3InChIKey
GECLHBOHBMFIDO-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4F)C(=O)OCC5=CC=C(C=C5)OC
InChI=1SC29H26FNO4Sc11726(29(33)35161891120(342)121018)27(21634722(21)30)2823(3117)1419(1524(28)32)2585133625h313192731H1416H212H3
MFCD03370944
ZINC000001074536
ZINC000001074550
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