Vitas-M small molecule compound
cyclopentyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019269
SMILES COc1ccc(cc1)C1CC(=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)35-21-7-3-4-8-21)27(22-9-5-6-10-23(22)30)28-24(31-17)15-19(16-25(28)32)18-11-13-20(34-2)14-12-18/h5-6,9-14,19,21,27,31H,3-4,7-8,15-16H2,1-2H3InChIKey
IALJCBWTJKHTMS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4F)C(=O)OC5CCCC5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OC1CCCC1)C
cyclopentyl4(2fluorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(2fluorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30FNO4c11726(29(33)3521734821)27(229561023(22)30)2824(3117)1519(1625(28)32)18111320(342)141218h5691419212731H34781516H212H3
MFCD01655977
STK019269
ZINC000019830883
ZINC000019830886
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