Vitas-M small molecule compound
ethyl 4-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961003
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(o1)COc1ccc(c(c1)C)Cl)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 C25H26ClNO5 MW 455.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO5/c1-4-30-25(29)22-15(3)27-19-6-5-7-20(28)23(19)24(22)21-11-9-17(32-21)13-31-16-8-10-18(26)14(2)12-16/h8-12,24,27H,4-7,13H2,1-3H3InChIKey
UKNAWDIFWCONFM-UHFFFAOYSA-NSynonyms
679416-03-6679416036
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(O3)COC4=CC(=C(C=C4)Cl)C)C(=O)CCC2)C
ethyl4(5((4chloro3methylphenoxy)methyl)furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((4chloro3methylphenoxy)methyl)furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H26ClNO5c143025(29)2215(3)271965720(28)23(19)24(22)2111917(3221)13311681018(26)14(2)1216h8122427H4713H213H3
MFCD02243692
ZINC000002769557
ZINC000002769558
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