Vitas-M small molecule compound
1-ethyl-6-imino-8-methyl-3-(3-nitrophenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Catalog ID
STL223952
SMILES N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)CC)c1cccc(c1)[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 C18H15N5O4 MW 365.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O4/c1-3-18-11(2)17(10-21,15(22)27-18)16(8-19,9-20)14(26-18)12-5-4-6-13(7-12)23(24)25/h4-7,11,14,22H,3H2,1-2H3/b22-15+InChIKey
IAGWJPOMLYEFDO-PXLXIMEGSA-NSynonyms
1ethyl6imino8methyl3(3nitrophenyl)27dioxabicyclo(321)octane445tricarbonitrile
MFCD03694189
N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)CC)c1cccc(c1)(N+)(=O)(O)
ZINC000136710031
ZINC000239310057
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