Vitas-M small molecule compound

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

Catalog ID
STK372598
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-7-8-12-31-24(28)20-15(2)26-17-13-25(3,4)14-18(27)22(17)21(20)16-10-9-11-19(29-5)23(16)30-6/h9-11,21,26H,7-8,12-14H2,1-6H3
InChIKey
IEIIENNKZYCMKA-UHFFFAOYSA-N
Synonyms

butyl4(23dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(23dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO5c178123124(28)2015(2)26171325(34)1418(27)22(17)21(20)161091119(295)23(16)306h9112126H781214H216H3
MFCD00753236
ZINC000002055351
ZINC000002055352

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Available files

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