Vitas-M small molecule compound

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

Catalog ID
STK006013
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)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 C23H29NO4 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4/c1-6-11-28-22(26)19-14(2)24-17-12-23(3,4)13-18(25)21(17)20(19)15-7-9-16(27-5)10-8-15/h7-10,20,24H,6,11-13H2,1-5H3
InChIKey
WUSLVXDSCKQSOK-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC)C(=O)CC(C2)(C)C)C
InChI=1SC23H29NO4c16112822(26)1914(2)24171223(34)1318(25)21(17)20(19)157916(275)10815h7102024H61113H215H3
MFCD00770916
propyl4(4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK006013
ZINC000002063664
ZINC000002063665

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Available files

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