Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363423
SMILES CCCOc1ccccc1C1C(=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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-3-16-31-23-15-8-7-12-20(23)25-24(27(30)32-17-19-10-5-4-6-11-19)18(2)28-21-13-9-14-22(29)26(21)25/h4-8,10-12,15,25,28H,3,9,13-14,16-17H2,1-2H3InChIKey
TWRWTRGHSIGDHC-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC27H29NO4c1316312315871220(23)2524(27(30)321719105461119)18(2)28211391422(29)26(21)25h481012152528H3913141617H212H3
MFCD00752942
ZINC000004064184
ZINC000004064193
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