Vitas-M small molecule compound
methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK099109
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1
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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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c1-14-21(24(28)31-2)22(16-8-10-18(11-9-16)26(29)30)23-19(25-14)12-17(13-20(23)27)15-6-4-3-5-7-15/h3-11,17,22,25H,12-13H2,1-2H3InChIKey
ZFTRXPQENLFWAQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
InChI=1SC24H22N2O5c11421(24(28)312)22(1681018(11916)26(29)30)2319(2514)1217(1320(23)27)156435715h311172225H1213H212H3
methyl2methyl4(4nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl2methyl4(4nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00614971
STK099109
ZINC000001201717
ZINC000001201721
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