Vitas-M small molecule compound
propyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090801
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C27H26ClNO5 MW 479.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO5/c1-3-10-32-27(31)24-15(2)29-20-11-18(16-4-7-19(28)8-5-16)12-21(30)26(20)25(24)17-6-9-22-23(13-17)34-14-33-22/h4-9,13,18,25,29H,3,10-12,14H2,1-2H3InChIKey
KUDCXPBHLVJKME-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
InChI=1SC27H26ClNO5c13103227(31)2415(2)29201118(164719(28)8516)1221(30)26(20)25(24)17692223(1317)34143322h4913182529H3101214H212H3
MFCD01527929
propyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK090801
ZINC000002758282
ZINC000002758285
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