Vitas-M small molecule compound
4-methoxybenzyl 4-(3-fluorophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406060
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)c1ccco1
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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 C29H26FNO5 MW 487.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FNO5/c1-17-26(29(33)36-16-18-8-10-22(34-2)11-9-18)27(19-5-3-6-21(30)13-19)28-23(31-17)14-20(15-24(28)32)25-7-4-12-35-25/h3-13,20,27,31H,14-16H2,1-2H3InChIKey
SNESJKGIEDORGI-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3fluorophenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(3fluorophenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=CC=C4)F)C(=O)OCC5=CC=C(C=C5)OC
InChI=1SC29H26FNO5c11726(29(33)36161881022(342)11918)27(1953621(30)1319)2823(3117)1420(1524(28)32)2574123525h313202731H1416H212H3
MFCD04215964
ZINC000002844418
ZINC000002844421
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