Vitas-M small molecule compound

1-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-imidazol-3-ium

Catalog ID
STK054847
SMILES Cn1cc[n+](c1)CC(=O)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 C12H12N3O3 MW 246.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N3O3/c1-13-6-7-14(9-13)8-12(16)10-2-4-11(5-3-10)15(17)18/h2-7,9H,8H2,1H3/q+1
InChIKey
WHUNAWWPLOUQMW-UHFFFAOYSA-N
Synonyms

1METHYL3(2(4NITROPHENYL)2OXOETHYL)1HIMIDAZOL3IUM
2(1METHYLIMIDAZOL3YL)1(4NITROPHENYL)ETHAN1ONE
2(3METHYLIMIDAZOL3IUM1YL)1(4NITROPHENYL)ETHANONE
3METHYL1(2(4NITROPHENYL)2OXOETHYL)3HIMIDAZOL1IUM
C(N+)1=CN(C=C1)CC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
Cn1cc(n+)(c1)CC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC12H12N3O3c1136714(913)812(16)102411(5310)15(17)18h279H8H21H3q+1
MFCD01051235
STK054847
ZINC000004831976
ZINC04831976
ZINC4831976

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Available files

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