Vitas-M small molecule compound

propyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363706
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccccc1

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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 C27H29NO3 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO3/c1-4-14-31-27(30)24-18(3)28-22-15-21(19-8-6-5-7-9-19)16-23(29)26(22)25(24)20-12-10-17(2)11-13-20/h5-13,21,25,28H,4,14-16H2,1-3H3
InChIKey
IBJHZMRRKCXRGM-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H29NO3c14143127(30)2418(3)28221521(198657919)1623(29)26(22)25(24)20121017(2)111320h513212528H41416H213H3
MFCD00771376
propyl2methyl4(4methylphenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
propyl2methyl4(4methylphenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
ZINC000002927123
ZINC000002927132

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Available files

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