Vitas-M small molecule compound

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

Catalog ID
STK387212
SMILES CCOC(=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 C24H31NO6 MW 429.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO6/c1-8-31-23(27)19-13(2)25-15-11-24(3,4)12-16(26)21(15)20(19)14-9-17(28-5)22(30-7)18(10-14)29-6/h9-10,20,25H,8,11-12H2,1-7H3
InChIKey
NGEIFOVGVAGVAM-UHFFFAOYSA-N
Synonyms
78080-70-3
78080703
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C
ethyl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC24H31NO6c183123(27)1913(2)25151124(34)1216(26)21(15)20(19)14917(285)22(307)18(1014)296h9102025H81112H217H3
MFCD00520524
ZINC000000626255
ZINC000000626260

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Available files

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