Vitas-M small molecule compound
ethyl 4-{4-[(4-chlorobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL305773
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccc(cc1)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 C26H26ClNO4 MW 451.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO4/c1-3-31-26(30)23-16(2)28-21-5-4-6-22(29)25(21)24(23)18-9-13-20(14-10-18)32-15-17-7-11-19(27)12-8-17/h7-14,24,28H,3-6,15H2,1-2H3InChIKey
RFBBKVPQXZRWPI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(=O)CCC2)C
ethyl4(4((4chlorobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4chlorophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H26ClNO4c133126(30)2316(2)282154622(29)25(21)24(23)1891320(141018)32151771119(27)12817h7142428H3615H212H3
MFCD03028245
ZINC000000952431
ZINC000000952432
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