Vitas-M small molecule compound
(4E)-4-{[5-(4-bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL381985
SMILES Clc1cccc(c1)N1N=C(/C(=C\c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Br)/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 C21H13BrClN3O4 MW 486.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrClN3O4/c1-12-17(21(27)25(24-12)15-4-2-3-14(23)10-15)11-16-6-8-20(30-16)13-5-7-18(22)19(9-13)26(28)29/h2-11H,1H3/b17-11+InChIKey
KRMJQROLZLTOIZ-GZTJUZNOSA-NSynonyms
(4E)4((5(4bromo3nitrophenyl)furan2yl)methylidene)2(3chlorophenyl)5methyl24dihydro3Hpyrazol3one
(4E)4((5(4BROMO3NITROPHENYL)FURAN2YL)METHYLIDENE)2(3CHLOROPHENYL)5METHYLPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Br)(N+)(=O)(O))C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1N=C(C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))Br)C1=O)C
InChI=1SC21H13BrClN3O4c11217(21(27)25(2412)1542314(23)1015)11166820(3016)135718(22)19(913)26(28)29h211H1H3b1711+
MFCD03306623
ZINC000103791071
ZINC103791071
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