Vitas-M small molecule compound
dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK085879
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC
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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 C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-10-9-14-18(19(24)15(10)20(25)29-3)17(16(11(2)22-14)21(26)30-4)12-5-7-13(8-6-12)23(27)28/h5-8,10,15,17,22H,9H2,1-4H3InChIKey
WLKANZQYJCAZSY-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
dimethyl27dimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
dimethyl27dimethyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC21H22N2O7c11091418(19(24)15(10)20(25)293)17(16(11(2)2214)21(26)304)125713(8612)23(27)28h5810151722H9H214H3
MFCD03489338
STK085879
ZINC000004148773
ZINC000004148776
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