Vitas-M small molecule compound
(4Z)-2-(2,5-dichlorophenyl)-5-methyl-4-(3-nitrobenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK396390
SMILES Clc1ccc(c(c1)N1N=C(/C(=C/c2cccc(c2)[N+](=O)[O-])/C1=O)C)Cl
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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 C17H11Cl2N3O3 MW 376.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11Cl2N3O3/c1-10-14(8-11-3-2-4-13(7-11)22(24)25)17(23)21(20-10)16-9-12(18)5-6-15(16)19/h2-9H,1H3/b14-8-InChIKey
SUMWCWFHOHZHHW-ZSOIEALJSA-NSynonyms
329689-71-6(4Z)2(25DICHLOROPHENYL)5METHYL4((3NITROPHENYL)METHYLIDENE)PYRAZOL3ONE
(4Z)2(25dichlorophenyl)5methyl4(3nitrobenzylidene)24dihydro3Hpyrazol3one
(Z)1(25dichlorophenyl)3methyl4(3nitrobenzylidene)1Hpyrazol5(4H)one
329689716
CC1=NN(C(=O)C1=CC2=CC(=CC=C2)(N+)(=O)(O))C3=C(C=CC(=C3)Cl)Cl
Clc1ccc(c(c1)N1N=C(C(=Cc2cccc(c2)(N+)(=O)(O))C1=O)C)Cl
InChI=1SC17H11Cl2N3O3c11014(81132413(711)22(24)25)17(23)21(2010)16912(18)5615(16)19h29H1H3b148
MFCD00377986
ZINC000013476563
ZINC13476563
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