Vitas-M small molecule compound
(4E)-2-(4-bromophenyl)-5-methyl-4-{[(2-nitrophenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295451
SMILES Brc1ccc(cc1)N1N=C(/C(=C\Nc2ccccc2[N+](=O)[O-])/C1=O)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 C17H13BrN4O3 MW 401.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O3/c1-11-14(10-19-15-4-2-3-5-16(15)22(24)25)17(23)21(20-11)13-8-6-12(18)7-9-13/h2-10,19H,1H3/b14-10+InChIKey
WRCLDXAKDDFFGL-GXDHUFHOSA-NSynonyms
(4E)2(4bromophenyl)5methyl4(((2nitrophenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(4bromophenyl)5methyl4((2nitroanilino)methylidene)pyrazol3one
Brc1ccc(cc1)N1N=C(C(=CNc2ccccc2(N+)(=O)(O))C1=O)C
CC1=NN(C(=O)C1=CNC2=CC=CC=C2(N+)(=O)(O))C3=CC=C(C=C3)Br
InChI=1SC17H13BrN4O3c11114(101915423516(15)22(24)25)17(23)21(2011)138612(18)7913h21019H1H3b1410+
MFCD28032995
ZINC000101114489
ZINC101114489
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