Vitas-M small molecule compound
cyclopentyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022501
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OC1CCCC1)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 C29H30FNO4 MW 475.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30FNO4/c1-17-26(29(33)35-19-9-3-4-10-19)27(21-12-5-7-13-22(21)30)28-23(31-17)15-18(16-24(28)32)20-11-6-8-14-25(20)34-2/h5-8,11-14,18-19,27,31H,3-4,9-10,15-16H2,1-2H3InChIKey
AHPZLLYYUFDYAE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CC=C4F)C(=O)OC5CCCC5
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OC1CCCC1)C
cyclopentyl4(2fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(2fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30FNO4c11726(29(33)35199341019)27(2112571322(21)30)2823(3117)1518(1624(28)32)2011681425(20)342h58111418192731H349101516H212H3
MFCD03371030
STK022501
ZINC000000781642
ZINC000000781645
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