Vitas-M small molecule compound
methyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK081873
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OC)C
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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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-14-22(25(29)33-3)23(16-5-4-6-18(11-16)27(30)31)24-20(26-14)12-17(13-21(24)28)15-7-9-19(32-2)10-8-15/h4-11,17,23,26H,12-13H2,1-3H3InChIKey
JUSOLKQQOQJNJS-UHFFFAOYSA-NSynonyms
301321-30-2301321302
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OC)C
InChI=1SC25H24N2O6c11422(25(29)333)23(1654618(1116)27(30)31)2420(2614)1217(1321(24)28)157919(322)10815h411172326H1213H213H3
methyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00718167
STK081873
ZINC000001018106
ZINC000001018109
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