Vitas-M small molecule compound

3-(carboxymethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid

Catalog ID
STL173138
SMILES OC(=O)CN1CC2(CC(=CC(C1)(C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

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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 C11H13N3O8 MW 315.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3O8/c15-8(16)3-12-5-10(13(19)20)1-7(9(17)18)2-11(4-10,6-12)14(21)22/h1H,2-6H2,(H,15,16)(H,17,18)
InChIKey
ZOSLMARKGYKLAO-UHFFFAOYSA-N
Synonyms
372518-44-0
3(CARBOXYMETHYL)15BISNITRO3AZABICYCLO(331)NON6ENE7CARBOXYLICACID
3(carboxymethyl)15dinitro3azabicyclo(331)non6ene7carboxylicacid
372518440
C1C(=CC2(CC1(CN(C2)CC(=O)O)(N+)(=O)(O))(N+)(=O)(O))C(=O)O
InChI=1SC11H13N3O8c158(16)312510(13(19)20)17(9(17)18)211(410612)14(21)22h1H26H2(H1516)(H1718)
MFCD02174405
OC(=O)CN1CC2(CC(=CC(C1)(C2)(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
ZINC000002750301

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Available files

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