Vitas-M small molecule compound

methyl 4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406520
SMILES CCOc1cc(ccc1OCC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC

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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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-5-33-23-13-12-19(16-24(23)34-6-2)26-25(28(31)32-4)17(3)29-21-14-20(15-22(30)27(21)26)18-10-8-7-9-11-18/h7-13,16,20,26,29H,5-6,14-15H2,1-4H3
InChIKey
OUXZHJQYZQWIKH-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C)OCC
InChI=1SC28H31NO5c153323131219(1624(23)3462)2625(28(31)324)17(3)29211420(1522(30)27(21)26)18108791118h71316202629H561415H214H3
methyl4(34diethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(34diethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD06000592
ZINC000016393076
ZINC000016393085

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.