Vitas-M small molecule compound

3-cyclopentyl 6-methyl 4-[4-(diethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404650
SMILES CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC1CCCC1)CC

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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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-6-31(7-2)20-14-12-19(13-15-20)25-24(29(34)36-21-10-8-9-11-21)18(4)30-22-16-17(3)23(28(33)35-5)27(32)26(22)25/h12-15,17,21,23,25,30H,6-11,16H2,1-5H3
InChIKey
XRDBPSYUBHRSQJ-UHFFFAOYSA-N
Synonyms

3cyclopentyl6methyl4(4(diethylamino)phenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(4(diethylamino)phenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCC4)C
InChI=1SC29H38N2O5c1631(72)20141219(131520)2524(29(34)362110891121)18(4)30221617(3)23(28(33)355)27(32)26(22)25h12151721232530H61116H215H3
MFCD06193911
ZINC000001460850
ZINC000102009328

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Available files

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