Vitas-M small molecule compound
3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Catalog ID
STK681970
SMILES OCCOC1=CCC2(CC1(CN(C2)CCC(=O)O)[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 C13H19N3O8 MW 345.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3O8/c17-5-6-24-10-1-3-12(15(20)21)7-13(10,16(22)23)9-14(8-12)4-2-11(18)19/h1,17H,2-9H2,(H,18,19)InChIKey
JTAPXUXKTORBBV-UHFFFAOYSA-NSynonyms
3(6(2hydroxyethoxy)15dinitro3azabicyclo(331)non6en3yl)propanoicacid
3(6(2HYDROXYETHOXY)15DINITRO3AZONIABICYCLO(331)NON6EN3YL)PROPANOATE
C1C=C(C2(CC1(CN(C2)CCC(=O)O)(N+)(=O)(O))(N+)(=O)(O))OCCO
InChI=1SC13H19N3O8c175624101312(15(20)21)713(1016(22)23)914(812)4211(18)19h117H29H2(H1819)
MFCD03820814
OCCOC1=CCC2(CC1(CN(C2)CCC(=O)O)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003626532
Check stock
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Check stock on Vitas-MAvailable files
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