Vitas-M small molecule compound

methyl 3-nitro-5-(pyrrolidin-1-ylcarbonyl)benzoate

Catalog ID
STK046992
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCC1

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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 C13H14N2O5 MW 278.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O5/c1-20-13(17)10-6-9(7-11(8-10)15(18)19)12(16)14-4-2-3-5-14/h6-8H,2-5H2,1H3
InChIKey
ZBEMLXAPMNEZLX-UHFFFAOYSA-N
Synonyms
329932-22-1
329932221
3NITRO5(PYRROLIDINE1CARBONYL)BENZOICACIDMETHYLESTER
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCCC1
InChI=1SC13H14N2O5c12013(17)1069(711(810)15(18)19)12(16)14423514h68H25H21H3
METHYL3NITRO5(1PYRROLIDINYLCARBONYL)BENZOATE
METHYL3NITRO5(PYRROLIDIN1YLCARBONYL)BENZOATE
METHYL3NITRO5(PYRROLIDINE1CARBONYL)BENZOATE
METHYL5NITRO3(PYRROLIDINYLCARBONYL)BENZOATE
MFCD01196989
STK046992
ZINC000000060853
ZINC00060853
ZINC60853

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Available files

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