Vitas-M small molecule compound

propyl 7-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK087829
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CC(C2)c1ccc(c(c1)OC)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 C31H37NO7 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO7/c1-7-13-39-31(34)28-18(3)32-22-14-21(19-9-11-24(35-4)26(16-19)36-5)15-23(33)30(22)29(28)20-10-12-25(38-8-2)27(17-20)37-6/h9-12,16-17,21,29,32H,7-8,13-15H2,1-6H3
InChIKey
MXOWKHCFMXQHQO-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC)OC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC31H37NO7c17133931(34)2818(3)32221421(1991124(354)26(1619)365)1523(33)30(22)29(28)20101225(3882)27(1720)376h9121617212932H781315H216H3
MFCD02224303
propyl7(34dimethoxyphenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl7(34dimethoxyphenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK087829
ZINC000002771840
ZINC000002771843

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Available files

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