Vitas-M small molecule compound

2-amino-5-(3,4-dimethylphenyl)-1-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-imidazol-3-ium

Catalog ID
STK132314
SMILES O=C(c1cccc(c1)[N+](=O)[O-])C[n+]1cc(n(c1N)C)c1ccc(c(c1)C)C

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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 C20H21N4O3 MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-13-7-8-15(9-14(13)2)18-11-23(20(21)22(18)3)12-19(25)16-5-4-6-17(10-16)24(26)27/h4-11,21H,12H2,1-3H3/p+1
InChIKey
LBLRRBSUFWNDOT-UHFFFAOYSA-O
Synonyms

2(2AMINO4(34DIMETHYLPHENYL)3METHYLIMIDAZOL1IUM1YL)1(3NITROPHENYL)ETHANONE
2AMINO5(34DIMETHYLPHENYL)1METHYL3(2(3NITROPHENYL)2OXOETHYL)1HIMIDAZOL3IUM
CC1=C(C=C(C=C1)C2=C(N+)(=C(N2C)N)CC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC20H20N4O3c1137815(914(13)2)181123(20(21)22(18)3)1219(25)1654617(1016)24(26)27h41121H12H213H3p+1
MFCD09267513
O=C(c1cccc(c1)(N+)(=O)(O))C(n+)1cc(n(c1N)C)c1ccc(c(c1)C)C
ZINC000334157553
ZINC04715629
ZINC4715629

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Available files

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