Vitas-M small molecule compound

butyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK371124
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(CC)CC)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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-7-10-15-32-26(31)23-18(4)28-21-16-27(5,6)17-22(30)25(21)24(23)19-11-13-20(14-12-19)29(8-2)9-3/h11-14,24,28H,7-10,15-17H2,1-6H3
InChIKey
UOHPYJANHWBUCN-UHFFFAOYSA-N
Synonyms

butyl4(4(diethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(4(diethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(CC)CC)C(=O)CC(C2)(C)C)C
InChI=1SC27H38N2O3c1710153226(31)2318(4)28211627(56)1722(30)25(21)24(23)19111320(141219)29(82)93h11142428H7101517H216H3
MFCD00325678
ZINC000002066316
ZINC000002066317

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Available files

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