Vitas-M small molecule compound

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

Catalog ID
STK372270
SMILES CCOC(=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 C25H34N2O3 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O3/c1-7-27(8-2)18-12-10-17(11-13-18)22-21(24(29)30-9-3)16(4)26-19-14-25(5,6)15-20(28)23(19)22/h10-13,22,26H,7-9,14-15H2,1-6H3
InChIKey
ZFNWTCGDWINJKC-UHFFFAOYSA-N
Synonyms
299449-67-5
299449675
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C
ethyl4(4(diethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4(diethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H34N2O3c1727(82)18121017(111318)2221(24(29)3093)16(4)26191425(56)1520(28)23(19)22h10132226H791415H216H3
MFCD00472876
ZINC000004043846
ZINC000004043848

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Available files

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