Vitas-M small molecule compound
ethyl 2-methyl-4-{4-[(4-methylbenzyl)oxy]-3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK959504
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)C)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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-4-34-27(31)24-17(3)28-20-6-5-7-22(30)26(20)25(24)19-12-13-23(21(14-19)29(32)33)35-15-18-10-8-16(2)9-11-18/h8-14,25,28H,4-7,15H2,1-3H3InChIKey
SYZCBYAQMYEFAV-UHFFFAOYSA-NSynonyms
397875-24-0397875240
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)C)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C)(N+)(=O)(O))C(=O)CCC2)C
ethyl2methyl4(4((4methylbenzyl)oxy)3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2methyl4(4((4methylphenyl)methoxy)3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28N2O6c143427(31)2417(3)282065722(30)26(20)25(24)19121323(21(1419)29(32)33)35151810816(2)91118h8142528H4715H213H3
MFCD02175288
ZINC000002759523
ZINC000002759524
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