Vitas-M small molecule compound

[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]propanedinitrile

Catalog ID
STL360984
SMILES N#CC(C(C1C(=NNC1=O)C)c1cccc(c1)[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 C14H11N5O3 MW 297.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N5O3/c1-8-12(14(20)18-17-8)13(10(6-15)7-16)9-3-2-4-11(5-9)19(21)22/h2-5,10,12-13H,1H3,(H,18,20)
InChIKey
OINSUTCUVVLCIM-UHFFFAOYSA-N
Synonyms
89607-51-2
((3METHYL5OXO(2PYRAZOLIN4YL))(3NITROPHENYL)METHYL)METHANE11DICARBONITRILE
((3methyl5oxo45dihydro1Hpyrazol4yl)(3nitrophenyl)methyl)propanedinitrile
2((3METHYL5OXO14DIHYDROPYRAZOL4YL)(3NITROPHENYL)METHYL)PROPANEDINITRILE
2((3methyl5oxo45dihydro1Hpyrazol4yl)(3nitrophenyl)methyl)malononitrile
2((5HYDROXY3METHYL1HPYRAZOL4YL)(3NITROPHENYL)METHYL)MALONONITRILE
89607512
CC1=NNC(=O)C1C(C2=CC(=CC=C2)(N+)(=O)(O))C(C#N)C#N
InChI=1SC14H11N5O3c1812(14(20)18178)13(10(615)716)932411(59)19(21)22h25101213H1H3(H1820)
MFCD00245337
N#CC(C(C1C(=NNC1=O)C)c1cccc(c1)(N+)(=O)(O))C#N
PROPANEDINITRILE((45DIHYDRO3METHYL5OXO1HPYRAZOL4YL)(3NITROPHENYL)METHYL)
ZINC000100708631
ZINC000100708634

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Available files

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