Vitas-M small molecule compound

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

Catalog ID
STK406507
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1C)C(=O)CC(C2)c1ccc(cc1)N(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 C27H30N2O3 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3/c1-16-8-6-7-9-21(16)25-24(27(31)32-5)17(2)28-22-14-19(15-23(30)26(22)25)18-10-12-20(13-11-18)29(3)4/h6-13,19,25,28H,14-15H2,1-5H3
InChIKey
RGSDHPUKWZTNFR-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)N(C)C)NC(=C2C(=O)OC)C
InChI=1SC27H30N2O3c116867921(16)2524(27(31)325)17(2)28221419(1523(30)26(22)25)18101220(131118)29(3)4h613192528H1415H215H3
methyl7(4(dimethylamino)phenyl)2methyl4(2methylphenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4(dimethylamino)phenyl)2methyl4(2methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06000667
ZINC000016393144
ZINC000016393152

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Available files

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