Vitas-M small molecule compound

pentyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363225
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CCC2

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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 C24H29NO5 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5/c1-4-5-6-14-29-24(28)21-15(2)25-19-8-7-9-20(27)23(19)22(21)17-10-12-18(13-11-17)30-16(3)26/h10-13,22,25H,4-9,14H2,1-3H3
InChIKey
FMLMEWSKSKOPBH-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CCC2)C
InChI=1SC24H29NO5c1456142924(28)2115(2)251987920(27)23(19)22(21)17101218(131117)3016(3)26h10132225H4914H213H3
MFCD00753367
pentyl4(4(acetyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4acetyloxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055463
ZINC000002055464

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Available files

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