Vitas-M small molecule compound
(7E)-7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminio]-4-nitrocyclohepta-1,3,5-trien-1-olate
Catalog ID
STL043643
SMILES [O-][N+](=O)c1ccc(/c(=[NH+]/c2c(C)n(n(c2=O)c2ccccc2)C)/cc1)[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 C18H16N4O4 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4/c1-12-17(18(24)21(20(12)2)13-6-4-3-5-7-13)19-15-10-8-14(22(25)26)9-11-16(15)23/h3-11H,1-2H3,(H,19,23)InChIKey
WGGBTXHCNOOHBI-UHFFFAOYSA-NSynonyms
314040-30-7(7E)7((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)iminio)4nitrocyclohepta135trien1olate
(O)(N+)(=O)c1ccc(c(=(NH+)c2c(C)n(n(c2=O)c2ccccc2)C)cc1)(O)
15DIMETHYL4((4NITRO7OXOCYCLOHEPTA135TRIEN1YL)AMINO)2PHENYLPYRAZOL3ONE
314040307
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC=C(C=CC3=O)(N+)(=O)(O)
InChI=1SC18H16N4O4c11217(18(24)21(20(12)2)136435713)191510814(22(25)26)91116(15)23h311H12H3(H1923)
MFCD18248254
ZINC000004828768
ZINC04828768
ZINC4828768
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