Vitas-M small molecule compound

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

Catalog ID
STK371792
SMILES CCCCOC(=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 C24H31NO4 MW 397.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4/c1-6-7-12-29-23(27)20-15(2)25-18-13-24(3,4)14-19(26)22(18)21(20)16-8-10-17(28-5)11-9-16/h8-11,21,25H,6-7,12-14H2,1-5H3
InChIKey
ONAWEHKNWZRGSC-UHFFFAOYSA-N
Synonyms

butyl4(4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO4c167122923(27)2015(2)25181324(34)1419(26)22(18)21(20)1681017(285)11916h8112125H671214H215H3
MFCD00619415
ZINC000002066361
ZINC000002066362

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Available files

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