Vitas-M small molecule compound

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

Catalog ID
STK370794
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)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 C24H30BrNO3 MW 460.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30BrNO3/c1-5-6-7-12-29-23(28)20-15(2)26-18-13-24(3,4)14-19(27)22(18)21(20)16-8-10-17(25)11-9-16/h8-11,21,26H,5-7,12-14H2,1-4H3
InChIKey
DHNXHKYAOLOHAI-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CC(C2)(C)C)C
InChI=1SC24H30BrNO3c1567122923(28)2015(2)26181324(34)1419(27)22(18)21(20)1681017(25)11916h8112126H571214H214H3
MFCD00334889
pentyl4(4bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002031121
ZINC000002031125

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Available files

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