Vitas-M small molecule compound

benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK065013
SMILES COC(=O)c1ccc(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/c1-16-22(26(30)32-15-17-7-4-3-5-8-17)23(24-20(27-16)9-6-10-21(24)28)18-11-13-19(14-12-18)25(29)31-2/h3-5,7-8,11-14,23,27H,6,9-10,15H2,1-2H3
InChIKey
NFRRZBKEFJOPDY-UHFFFAOYSA-N
Synonyms
299948-51-9
299948519
benzyl4(4(methoxycarbonyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4methoxycarbonylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4
COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
InChI=1SC26H25NO5c11622(26(30)3215177435817)23(2420(2716)961021(24)28)18111319(141218)25(29)312h357811142327H691015H212H3
MFCD00753313
STK065013
ZINC000019536511
ZINC000019536514

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Available files

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