Vitas-M small molecule compound
(4E)-4-{[(4-amino-3-nitrophenyl)amino]methylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295568
SMILES Brc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(c(c2)[N+](=O)[O-])N)/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 C17H14BrN5O3 MW 416.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN5O3/c1-10-14(9-20-12-4-7-15(19)16(8-12)23(25)26)17(24)22(21-10)13-5-2-11(18)3-6-13/h2-9,20H,19H2,1H3/b14-9+InChIKey
JXEXFOISPQKGBW-NTEUORMPSA-NSynonyms
(4E)4(((4amino3nitrophenyl)amino)methylidene)2(4bromophenyl)5methyl24dihydro3Hpyrazol3one
(4E)4((4amino3nitroanilino)methylidene)2(4bromophenyl)5methylpyrazol3one
Brc1ccc(cc1)N1N=C(C(=CNc2ccc(c(c2)(N+)(=O)(O))N)C1=O)C
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)N)(N+)(=O)(O))C3=CC=C(C=C3)Br
InChI=1SC17H14BrN5O3c11014(920124715(19)16(812)23(25)26)17(24)22(2110)135211(18)3613h2920H19H21H3b149+
MFCD28033029
ZINC000101077950
ZINC101077950
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