Vitas-M small molecule compound

(2E,2'E)-N,N'-heptane-1,7-diylbis[3-(3-nitrophenyl)prop-2-enamide]

Catalog ID
STK421164
SMILES O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCCCCCCNC(=O)/C=C/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 C25H28N4O6 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O6/c30-24(14-12-20-8-6-10-22(18-20)28(32)33)26-16-4-2-1-3-5-17-27-25(31)15-13-21-9-7-11-23(19-21)29(34)35/h6-15,18-19H,1-5,16-17H2,(H,26,30)(H,27,31)/b14-12+,15-13+
InChIKey
ZHCCOBYZGGBBIT-QUMQEAAQSA-N
Synonyms
548448-71-1
(2E2E)NNheptane17diylbis(3(3nitrophenyl)prop2enamide)
(E)3(3NITROPHENYL)N(7(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)HEPTYL)PROP2ENAMIDE
548448711
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NCCCCCCCNC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC25H28N4O6c3024(141220861022(1820)28(32)33)261642135172725(31)151321971123(1921)29(34)35h6151819H151617H2(H2630)(H2731)b1412+1513+
MFCD02174425
O=C(C=Cc1cccc(c1)(N+)(=O)(O))NCCCCCCCNC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000020457211
ZINC20457211

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Available files

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