Vitas-M small molecule compound
(4E)-4-(4-chloro-3-nitrobenzylidene)-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL380135
SMILES Ic1ccc(cc1)N1N=C(/C(=C\c2ccc(c(c2)[N+](=O)[O-])Cl)/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 C17H11ClIN3O3 MW 467.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClIN3O3/c1-10-14(8-11-2-7-15(18)16(9-11)22(24)25)17(23)21(20-10)13-5-3-12(19)4-6-13/h2-9H,1H3/b14-8+InChIKey
BYQAZQDXEGLFJG-RIYZIHGNSA-NSynonyms
(4E)4((4CHLORO3NITROPHENYL)METHYLIDENE)2(4IODOPHENYL)5METHYLPYRAZOL3ONE
(4E)4(4chloro3nitrobenzylidene)2(4iodophenyl)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=CC=C(C=C3)I
Ic1ccc(cc1)N1N=C(C(=Cc2ccc(c(c2)(N+)(=O)(O))Cl)C1=O)C
InChI=1SC17H11ClIN3O3c11014(8112715(18)16(911)22(24)25)17(23)21(2010)135312(19)4613h29H1H3b148+
MFCD02906898
ZINC000103790331
ZINC103790331
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