Vitas-M small molecule compound
2-phenoxyethyl 4-(3-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK046566
SMILES CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
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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/c1-3-31-21-12-7-9-19(17-21)25-24(18(2)28-22-13-8-14-23(29)26(22)25)27(30)33-16-15-32-20-10-5-4-6-11-20/h4-7,9-12,17,25,28H,3,8,13-16H2,1-2H3InChIKey
IYXWFOIAWRYFPJ-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
InChI=1SC27H29NO5c133121127919(1721)2524(18(2)28221381423(29)26(22)25)27(30)3316153220105461120h47912172528H381316H212H3
MFCD02104394
STK046566
ZINC000008426802
ZINC000008426803
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