Vitas-M small molecule compound
2-methylpropyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK043168
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CCC2)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 C21H23ClN2O5 MW 418.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5/c1-11(2)10-29-21(26)18-12(3)23-16-5-4-6-17(25)20(16)19(18)14-9-13(24(27)28)7-8-15(14)22/h7-9,11,19,23H,4-6,10H2,1-3H3InChIKey
XNGRGCUOPOEGPV-UHFFFAOYSA-NSynonyms
2methylpropyl4(2chloro5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(2chloro5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CCC2)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OCC(C)C
InChI=1SC21H23ClN2O5c111(2)102921(26)1812(3)231654617(25)20(16)19(18)14913(24(27)28)7815(14)22h79111923H4610H213H3
MFCD02188018
STK043168
ZINC000001107204
ZINC000001107205
Check stock
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