Vitas-M small molecule compound
pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK041632
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C25H27NO5 MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5/c1-3-4-7-13-30-25(29)21-15(2)26-18-10-8-11-19(27)23(18)22(21)17-14-31-20-12-6-5-9-16(20)24(17)28/h5-6,9,12,14,22,26H,3-4,7-8,10-11,13H2,1-2H3InChIKey
JMXOYGFQQPQNEQ-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CCC2
CCCCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CCC2)C
InChI=1SC25H27NO5c1347133025(29)2115(2)26181081119(27)23(18)22(21)171431201265916(20)24(17)28h56912142226H3478101113H212H3
MFCD01994638
pentyl2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
pentyl2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
STK041632
ZINC000002088212
ZINC000002088213
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