Vitas-M small molecule compound
2-phenylethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK021525
SMILES COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
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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 C27H27NO5 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO5/c1-17-23(27(31)33-16-15-18-7-4-3-5-8-18)24(25-21(28-17)9-6-10-22(25)29)19-11-13-20(14-12-19)26(30)32-2/h3-5,7-8,11-14,24,28H,6,9-10,15-16H2,1-2H3InChIKey
HHLDUIHZYGCINJ-UHFFFAOYSA-NSynonyms
2phenylethyl4(4(methoxycarbonyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4methoxycarbonylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(=O)OC)C(=O)OCCC4=CC=CC=C4
COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
InChI=1SC27H27NO5c11723(27(31)331615187435818)24(2521(2817)961022(25)29)19111320(141219)26(30)322h357811142428H69101516H212H3
MFCD02104455
STK021525
ZINC000001220240
ZINC000001220241
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