Vitas-M small molecule compound
3-benzyl 6-methyl 4-(2-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404487
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCc1ccccc1)c1ccccc1F
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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 C27H26FNO5 MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FNO5/c1-15-13-20-24(25(30)21(15)26(31)33-3)23(18-11-7-8-12-19(18)28)22(16(2)29-20)27(32)34-14-17-9-5-4-6-10-17/h4-12,15,21,23,29H,13-14H2,1-3H3InChIKey
KBIQBJRBQVMMRJ-UHFFFAOYSA-NSynonyms
3benzyl6methyl4(2fluorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Obenzyl6Omethyl4(2fluorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)C1C(=O)OC
InChI=1SC27H26FNO5c115132024(25(30)21(15)26(31)333)23(1811781219(18)28)22(16(2)2920)27(32)34141795461017h41215212329H1314H213H3
MFCD04220365
ZINC000020363145
ZINC000101915485
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