Vitas-M small molecule compound

(4Z)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL381983
SMILES Clc1cc(Cl)c(c(c1)Cl)N1N=C(/C(=C/c2ccc(o2)c2ccc(cc2)[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 C21H12Cl3N3O4 MW 476.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12Cl3N3O4/c1-11-16(21(28)26(25-11)20-17(23)8-13(22)9-18(20)24)10-15-6-7-19(31-15)12-2-4-14(5-3-12)27(29)30/h2-10H,1H3/b16-10-
InChIKey
BSZTYILEANNKNK-YBEGLDIGSA-N
Synonyms

(4Z)5methyl4((5(4nitrophenyl)furan2yl)methylidene)2(246trichlorophenyl)24dihydro3Hpyrazol3one
(4Z)5METHYL4((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2(246TRICHLOROPHENYL)PYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))C4=C(C=C(C=C4Cl)Cl)Cl
Clc1cc(Cl)c(c(c1)Cl)N1N=C(C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)C
InChI=1SC21H12Cl3N3O4c11116(21(28)26(2511)2017(23)813(22)918(20)24)10156719(3115)122414(5312)27(29)30h210H1H3b1610
MFCD03306573
ZINC000022478408
ZINC22478408

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Available files

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