Vitas-M small molecule compound
(4Z)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK523971
SMILES Clc1cc(Cl)c(c(c1)Cl)N1N=C(/C(=C/c2ccc(o2)[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 C15H8Cl3N3O4 MW 400.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H8Cl3N3O4/c1-7-10(6-9-2-3-13(25-9)21(23)24)15(22)20(19-7)14-11(17)4-8(16)5-12(14)18/h2-6H,1H3/b10-6-InChIKey
SRDKXFHMUCLYFK-POHAHGRESA-NSynonyms
(4Z)5methyl4((5nitrofuran2yl)methylidene)2(246trichlorophenyl)24dihydro3Hpyrazol3one
(4Z)5METHYL4((5NITROFURAN2YL)METHYLIDENE)2(246TRICHLOROPHENYL)PYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC=C(O2)(N+)(=O)(O))C3=C(C=C(C=C3Cl)Cl)Cl
Clc1cc(Cl)c(c(c1)Cl)N1N=C(C(=Cc2ccc(o2)(N+)(=O)(O))C1=O)C
InChI=1SC15H8Cl3N3O4c1710(692313(259)21(23)24)15(22)20(197)1411(17)48(16)512(14)18h26H1H3b106
MFCD03216827
ZINC000102265865
ZINC102265865
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