Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK003437
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)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 C29H30FNO5 MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30FNO5/c1-17-26(29(33)36-16-19-8-7-13-35-19)27(21-10-3-5-11-22(21)30)28-23(31-17)14-18(15-24(28)32)20-9-4-6-12-25(20)34-2/h3-6,9-12,18-19,27,31H,7-8,13-16H2,1-2H3InChIKey
ZNIJEVKCFFYEBL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CC=C4F)C(=O)OCC5CCCO5
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OCC1CCCO1)C
InChI=1SC29H30FNO5c11726(29(33)36161987133519)27(2110351122(21)30)2823(3117)1418(1524(28)32)209461225(20)342h3691218192731H781316H212H3
MFCD03146429
oxolan2ylmethyl4(2fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK003437
tetrahydrofuran2ylmethyl4(2fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000781653
ZINC000035961655
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