Vitas-M small molecule compound

3-(2-hydroxyethyl)-1,5-dinitro-9-(2-oxopropyl)-3-azabicyclo[3.3.1]non-7-en-6-one

Catalog ID
STK766170
SMILES OCCN1CC2(C=CC(=O)C(C1)(C2CC(=O)C)[N+](=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 C13H17N3O7 MW 327.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O7/c1-9(18)6-10-12(15(20)21)3-2-11(19)13(10,16(22)23)8-14(7-12)4-5-17/h2-3,10,17H,4-8H2,1H3
InChIKey
CMDSEGQYYUNTST-UHFFFAOYSA-N
Synonyms

3(2hydroxyethyl)15dinitro9(2oxopropyl)3azabicyclo(331)non7en6one
7(2HYDROXYETHYL)15DINITRO9(2OXOPROPYL)7AZABICYCLO(331)NON2EN4ONE
7(2HYDROXYETHYL)15DINITRO9(2OXOPROPYL)7AZABICYCLO(331)NON3EN2ONE
CC(=O)CC1C2(CN(CC1(C(=O)C=C2)(N+)(=O)(O))CCO)(N+)(=O)(O)
InChI=1SC13H17N3O7c19(18)61012(15(20)21)3211(19)13(1016(22)23)814(712)4517h231017H48H21H3
MFCD02934832
OCCN1CC2(C=CC(=O)C(C1)(C2CC(=O)C)(N+)(=O)(O))(N+)(=O)(O)
ZINC000100107932
ZINC000100107936

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Available files

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