Vitas-M small molecule compound

propyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK012514
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C

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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 C25H33NO6 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO6/c1-8-9-32-24(28)20-14(2)26-16-12-25(3,4)13-17(27)22(16)21(20)15-10-18(29-5)23(31-7)19(11-15)30-6/h10-11,21,26H,8-9,12-13H2,1-7H3
InChIKey
ALWZVTRHYVZHAU-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO6c1893224(28)2014(2)26161225(34)1317(27)22(16)21(20)151018(295)23(317)19(1115)306h10112126H891213H217H3
MFCD00752914
propyl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
propyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
STK012514
ZINC000002069340
ZINC000002069341

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Available files

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