Vitas-M small molecule compound
propan-2-yl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402907
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OC(C)C)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 C27H28FNO4 MW 449.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO4/c1-15(2)33-27(31)24-16(3)29-21-13-17(18-9-6-8-12-23(18)32-4)14-22(30)26(21)25(24)19-10-5-7-11-20(19)28/h5-12,15,17,25,29H,13-14H2,1-4H3InChIKey
XDKMKSMRMGPQFU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CC=C4F)C(=O)OC(C)C
InChI=1SC27H28FNO4c115(2)3327(31)2416(3)29211317(189681223(18)324)1422(30)26(21)25(24)1910571120(19)28h51215172529H1314H214H3
MFCD03145180
propan2yl4(2fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(2fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001074521
ZINC000001074531
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