Vitas-M small molecule compound
2-amino-1-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-5-phenyl-1H-imidazol-3-ium
Catalog ID
STK115065
SMILES O=C(c1cccc(c1)[N+](=O)[O-])C[n+]1cc(n(c1N)C)c1ccccc1
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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 C18H17N4O3 MW 337.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3/c1-20-16(13-6-3-2-4-7-13)11-21(18(20)19)12-17(23)14-8-5-9-15(10-14)22(24)25/h2-11,19H,12H2,1H3/p+1InChIKey
HAIZGHQOVDADBJ-UHFFFAOYSA-OSynonyms
2(2AMINO3METHYL4PHENYLIMIDAZOL1IUM1YL)1(3NITROPHENYL)ETHANONE
2AMINO1METHYL3(2(3NITROPHENYL)2OXOETHYL)5PHENYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=CC=C3
InChI=1SC18H16N4O3c12016(136324713)1121(18(20)19)1217(23)1485915(1014)22(24)25h21119H12H21H3p+1
MFCD09267357
O=C(c1cccc(c1)(N+)(=O)(O))C(n+)1cc(n(c1N)C)c1ccccc1
ZINC000334157529
ZINC04690516
ZINC4690516
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