Vitas-M small molecule compound
2-phenoxyethyl 4-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363378
SMILES CCOc1ccc(cc1)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/c1-3-31-21-14-12-19(13-15-21)25-24(18(2)28-22-10-7-11-23(29)26(22)25)27(30)33-17-16-32-20-8-5-4-6-9-20/h4-6,8-9,12-15,25,28H,3,7,10-11,16-17H2,1-2H3InChIKey
HSQCTYYAVWBSLW-UHFFFAOYSA-NSynonyms
313244-48-32phenoxyethyl4(4ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
313244483
CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
InChI=1SC27H29NO5c133121141219(131521)2524(18(2)28221071123(29)26(22)25)27(30)33171632208546920h468912152528H3710111617H212H3
MFCD01367217
ZINC000004067373
ZINC000004067374
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