Vitas-M small molecule compound

[(6-nitro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile

Catalog ID
STK068866
SMILES N#CC(=Cc1cc2OCOc2cc1[N+](=O)[O-])C#N

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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 C11H5N3O4 MW 243.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H5N3O4/c12-4-7(5-13)1-8-2-10-11(18-6-17-10)3-9(8)14(15)16/h1-3H,6H2
InChIKey
SRYYXVFONUYVLR-UHFFFAOYSA-N
Synonyms
122520-72-3
((6NITRO13BENZODIOXOL5YL)METHYLIDENE)PROPANEDINITRILE
((6NITRO2HBENZO(34D)13DIOXOLEN5YL)METHYLENE)METHANE11DICARBONITRILE
(34(METHYLENEDIOXY)6NITROBENZYLIDENE)MALONONITRILE
122520723
2((6NITRO13BENZODIOXOL5YL)METHYLIDENE)PROPANEDINITRILE
2((6NITRO13BENZODIOXOLE5YL)METHYLENE)MALONONITRILE
2((6NITRO2H13BENZODIOXOL5YL)METHYLIDENE)PROPANEDINITRILE
2(6NITROBENZO(13)DIOXOL5YLMETHYLENE)MALONONITRILE
34METHYLENEDIOXY6NITROBENZYLIDENEMALONONITRILE
BENZYLIDENEMALONONITRILE(BMN)DERIV7
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C#N)(N+)(=O)(O)
InChI=1SC11H5N3O4c1247(513)1821011(1861710)39(8)14(15)16h13H6H2
MFCD00810339
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))C#N
STK068866
ZINC000000095623
ZINC00095623
ZINC95623

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.