Vitas-M small molecule compound

methyl 3-[(2,6-dimethylmorpholin-4-yl)carbonyl]-5-nitrobenzoate

Catalog ID
STK003970
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CC(C)OC(C1)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 C15H18N2O6 MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O6/c1-9-7-16(8-10(2)23-9)14(18)11-4-12(15(19)22-3)6-13(5-11)17(20)21/h4-6,9-10H,7-8H2,1-3H3
InChIKey
XSQWJUBJSXANTN-UHFFFAOYSA-N
Synonyms
348604-22-8
348604228
CC1CN(CC(O1)C)C(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CC(C)OC(C1)C
InChI=1SC15H18N2O6c19716(810(2)239)14(18)11412(15(19)223)613(511)17(20)21h46910H78H213H3
METHYL3((26DIMETHYLMORPHOLIN4YL)CARBONYL)5NITROBENZOATE
METHYL3(26DIMETHYLMORPHOLINE4CARBONYL)5NITROBENZOATE
MFCD01197035
STK003970
ZINC000000029067
ZINC000012417924

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.