Vitas-M small molecule compound
2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372396
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-18-24(27(30)32-16-15-31-2)25(26-21(28-18)12-8-13-22(26)29)20-11-6-7-14-23(20)33-17-19-9-4-3-5-10-19/h3-7,9-11,14,25,28H,8,12-13,15-17H2,1-2H3InChIKey
CGRVOJXJPKMGSW-UHFFFAOYSA-NSynonyms
2methoxyethyl2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
2methoxyethyl4(2(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OCCOC
InChI=1SC27H29NO5c11824(27(30)321615312)25(2621(2818)1281322(26)29)2011671423(20)33171994351019h37911142528H812131517H212H3
MFCD00771119
ZINC000002057137
ZINC000002057138
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