Vitas-M small molecule compound
benzyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372541
SMILES CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C26H25NO5 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO5/c1-16-23(26(30)31-15-18-7-4-3-5-8-18)24(25-21(27-16)9-6-10-22(25)29)19-11-13-20(14-12-19)32-17(2)28/h3-5,7-8,11-14,24,27H,6,9-10,15H2,1-2H3InChIKey
VUFSTPBNSHUMHT-UHFFFAOYSA-NSynonyms
299946-65-9299946659
benzyl4(4(acetyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4acetyloxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC(=O)C)C(=O)OCC4=CC=CC=C4
InChI=1SC26H25NO5c11623(26(30)3115187435818)24(2521(2716)961022(25)29)19111320(141219)3217(2)28h357811142427H691015H212H3
MFCD00753055
ZINC000019535703
ZINC000019535706
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