Vitas-M small molecule compound
methyl 2-methyl-4-{4-[(4-methylbenzyl)oxy]-3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK960679
SMILES COC(=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 C26H26N2O6 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6/c1-15-7-9-17(10-8-15)14-34-22-12-11-18(13-20(22)28(31)32)24-23(26(30)33-3)16(2)27-19-5-4-6-21(29)25(19)24/h7-13,24,27H,4-6,14H2,1-3H3InChIKey
RMQLOZWPORAHMC-UHFFFAOYSA-NSynonyms
397875-22-8397875228
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)OC)C)(N+)(=O)(O)
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)C)C(=O)CCC2
InChI=1SC26H26N2O6c1157917(10815)143422121118(1320(22)28(31)32)2423(26(30)333)16(2)271954621(29)25(19)24h7132427H4614H213H3
methyl2methyl4(4((4methylbenzyl)oxy)3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2methyl4(4((4methylphenyl)methoxy)3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175654
ZINC000013882287
ZINC000013882288
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