Vitas-M small molecule compound
methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370808
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)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 C20H22N2O5 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5/c1-11-16(19(24)27-4)17(12-6-5-7-13(8-12)22(25)26)18-14(21-11)9-20(2,3)10-15(18)23/h5-8,17,21H,9-10H2,1-4H3InChIKey
PICCUHFXOBODDU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC20H22N2O5c11116(19(24)274)17(1265713(812)22(25)26)1814(2111)920(23)1015(18)23h581721H910H214H3
methyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
MFCD00354521
ZINC000019925210
ZINC000019925212
Check stock
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Check stock on Vitas-MAvailable files
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