Vitas-M small molecule compound
methyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371827
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2
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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 C19H18N2O7 MW 386.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O7/c1-9-16(19(23)26-2)17(18-11(20-9)4-3-5-13(18)22)10-6-14-15(28-8-27-14)7-12(10)21(24)25/h6-7,17,20H,3-5,8H2,1-2H3InChIKey
SSRLVLZUCNFOHQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2
InChI=1SC19H18N2O7c1916(19(23)262)17(1811(209)43513(18)22)1061415(2882714)712(10)21(24)25h671720H358H212H3
methyl2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
methyl2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00619493
ZINC000019315013
ZINC000019315015
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