Vitas-M small molecule compound
methyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK052668
SMILES COC(=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 C25H25NO3 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO3/c1-15-9-11-18(12-10-15)23-22(25(28)29-3)16(2)26-20-13-19(14-21(27)24(20)23)17-7-5-4-6-8-17/h4-12,19,23,26H,13-14H2,1-3H3InChIKey
VXGKUISGXXQKDR-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccccc1
InChI=1SC25H25NO3c11591118(121015)2322(25(28)293)16(2)26201319(1421(27)24(20)23)177546817h412192326H1314H213H3
methyl2methyl4(4methylphenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl2methyl4(4methylphenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00771255
STK052668
ZINC000000853779
ZINC000000853782
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