Vitas-M small molecule compound

3,6-diamino-2,5-dinitropentalene-3a,6a(1H,4H)-dicarbonitrile

Catalog ID
STK677288
SMILES N#CC12CC(=C(C2(C#N)CC(=C1N)[N+](=O)[O-])N)[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 C10H8N6O4 MW 276.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8N6O4/c11-3-9-1-5(15(17)18)7(13)10(9,4-12)2-6(8(9)14)16(19)20/h1-2,13-14H2
InChIKey
KOKNDQFAJTYOKR-UHFFFAOYSA-N
Synonyms

14DIAMINO25DINITRO363A6ATETRAHYDROPENTALEN3A6ADICARBONITRILE
14DIAMINO25DINITRO3A6A(3H6H)PENTALENEDICARBONITRILE
36DIAMINO25DINITRO14DIHYDROPENTALENE3A6ADICARBONITRILE
36diamino25dinitropentalene3a6a(1H4H)dicarbonitrile
C1C(=C(C2(C1(C(=C(C2)(N+)(=O)(O))N)C#N)C#N)N)(N+)(=O)(O)
InChI=1SC10H8N6O4c113915(15(17)18)7(13)10(9412)26(8(9)14)16(19)20h121314H2
MFCD03035336
N#CC12CC(=C(C2(C#N)CC(=C1N)(N+)(=O)(O))N)(N+)(=O)(O)
ZINC000003672273
ZINC000003672275

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Available files

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