Vitas-M small molecule compound

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

Catalog ID
STK387208
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-7-29-22(26)19-13(2)24-15-11-23(3,4)12-16(25)21(15)20(19)14-8-9-17(27-5)18(10-14)28-6/h8-10,20,24H,7,11-12H2,1-6H3
InChIKey
AGYGSGDDSUUXGN-UHFFFAOYSA-N
Synonyms
292853-30-6
292853306
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)(C)C)C
ethyl4(34dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(34dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC23H29NO5c172922(26)1913(2)24151123(34)1216(25)21(15)20(19)148917(275)18(1014)286h8102024H71112H216H3
MFCD00345076
ZINC000000626239
ZINC000002193605

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Available files

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