Vitas-M small molecule compound
benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK036746
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C24H21ClN2O5 MW 452.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5/c1-14-21(24(29)32-13-15-6-3-2-4-7-15)22(23-18(26-14)8-5-9-20(23)28)16-10-11-17(25)19(12-16)27(30)31/h2-4,6-7,10-12,22,26H,5,8-9,13H2,1H3InChIKey
CXTIYVYYLAAPQE-UHFFFAOYSA-NSynonyms
benzyl4(4chloro3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4chloro3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC24H21ClN2O5c11421(24(29)3213156324715)22(2318(2614)85920(23)28)16101117(25)19(1216)27(30)31h246710122226H58913H21H3
MFCD02188572
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)CCC2)OCc1ccccc1
STK036746
ZINC000001213288
ZINC000001213292
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