Vitas-M small molecule compound
3-[6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Catalog ID
STK687748
SMILES ClCCOC1=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 C13H18ClN3O7 MW 363.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18ClN3O7/c14-4-6-24-10-1-3-12(16(20)21)7-13(10,17(22)23)9-15(8-12)5-2-11(18)19/h1H,2-9H2,(H,18,19)InChIKey
TZHHSGZWTCZMCK-UHFFFAOYSA-NSynonyms
3(6(2chloroethoxy)15dinitro3azabicyclo(331)non6en3yl)propanoicacid
C1C=C(C2(CC1(CN(C2)CCC(=O)O)(N+)(=O)(O))(N+)(=O)(O))OCCCl
ClCCOC1=CCC2(CC1(CN(C2)CCC(=O)O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H18ClN3O7c144624101312(16(20)21)713(1017(22)23)915(812)5211(18)19h1H29H2(H1819)
MFCD07021625
ZINC000004753929
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