Vitas-M small molecule compound
benzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372441
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c1-15-21(24(28)31-14-16-6-3-2-4-7-16)22(17-10-12-18(13-11-17)26(29)30)23-19(25-15)8-5-9-20(23)27/h2-4,6-7,10-13,22,25H,5,8-9,14H2,1H3InChIKey
CDVUGSZHAPPUFJ-UHFFFAOYSA-NSynonyms
benzyl2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC24H22N2O5c11521(24(28)3114166324716)22(17101218(131117)26(29)30)2319(2515)85920(23)27h246710132225H58914H21H3
MFCD00771224
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)OCc1ccccc1
ZINC000019818151
ZINC000019818153
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