Vitas-M small molecule compound

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

Catalog ID
STK404452
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCC1)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 C25H28FNO5 MW 441.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28FNO5/c1-13-12-18-22(23(28)19(13)24(29)31-3)21(16-10-6-7-11-17(16)26)20(14(2)27-18)25(30)32-15-8-4-5-9-15/h6-7,10-11,13,15,19,21,27H,4-5,8-9,12H2,1-3H3
InChIKey
JTSBLZCBSZDXSN-UHFFFAOYSA-N
Synonyms

3cyclopentyl6methyl4(2fluorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(2fluorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=CC=C4F)C(=O)C1C(=O)OC
InChI=1SC25H28FNO5c113121822(23(28)19(13)24(29)313)21(1610671117(16)26)20(14(2)2718)25(30)3215845915h6710111315192127H458912H213H3
MFCD04226222
ZINC000013482745
ZINC000101316346

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Available files

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