Vitas-M small molecule compound

6-imino-1,8-dimethyl-3-(4-nitrophenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Catalog ID
STL223946
SMILES N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)C)c1ccc(cc1)[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 C17H13N5O4 MW 351.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O4/c1-10-15(2)25-13(11-3-5-12(6-4-11)22(23)24)16(7-18,8-19)17(10,9-20)14(21)26-15/h3-6,10,13,21H,1-2H3/b21-14+
InChIKey
BCTAXDDPLMJABR-KGENOOAVSA-N
Synonyms

6imino18dimethyl3(4nitrophenyl)27dioxabicyclo(321)octane445tricarbonitrile
MFCD03687840
N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000101007296
ZINC000230017111

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Available files

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