Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403128
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)F)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)36-16-21-6-5-13-35-21)27(18-9-11-20(30)12-10-18)28-23(31-17)14-19(15-24(28)32)22-7-3-4-8-25(22)34-2/h3-4,7-12,19,21,27,31H,5-6,13-16H2,1-2H3InChIKey
IRMLWEGRMXBQEL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)F)C(=O)OCC5CCCO5
InChI=1SC29H30FNO5c11726(29(33)36162165133521)27(1891120(30)121018)2823(3117)1419(1524(28)32)22734825(22)342h3471219212731H561316H212H3
MFCD03371098
oxolan2ylmethyl4(4fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000781674
ZINC000035961667
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