Vitas-M small molecule compound

3-benzyl 6-methyl 4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404516
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)F)C(=C(N2)C)C(=O)OCc1ccccc1

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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/c1-15-12-20-24(25(30)21(15)26(31)33-3)23(18-10-7-11-19(28)13-18)22(16(2)29-20)27(32)34-14-17-8-5-4-6-9-17/h4-11,13,15,21,23,29H,12,14H2,1-3H3
InChIKey
FRDQZEAIGHKVGA-UHFFFAOYSA-N
Synonyms

3benzyl6methyl4(3fluorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Obenzyl6Omethyl4(3fluorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)F)C(=O)C1C(=O)OC
InChI=1SC27H26FNO5c115122024(25(30)21(15)26(31)333)23(181071119(28)1318)22(16(2)2920)27(32)3414178546917h4111315212329H1214H213H3
MFCD04226260
ZINC000001460108
ZINC000239046435

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Available files

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