Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406130
SMILES COc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)F)C(=O)OCC1CCCO1
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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 C29H30FNO5 MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30FNO5/c1-17-26(29(33)36-16-23-4-3-13-35-23)27(19-7-11-22(34-2)12-8-19)28-24(31-17)14-20(15-25(28)32)18-5-9-21(30)10-6-18/h5-12,20,23,27,31H,3-4,13-16H2,1-2H3InChIKey
CLBJMXQBANXGIU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC)C(=O)OCC5CCCO5
InChI=1SC29H30FNO5c11726(29(33)36162343133523)27(1971122(342)12819)2824(3117)1420(1525(28)32)185921(30)10618h51220232731H341316H212H3
MFCD05986584
oxolan2ylmethyl7(4fluorophenyl)4(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(4fluorophenyl)4(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000020322492
ZINC000229948327
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