Vitas-M small molecule compound

(4E,4'E)-4,4'-{(4-hydroxybenzene-1,3-diyl)bis[imino(E)methylylidene]}bis[2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one]

Catalog ID
STL294860
SMILES Fc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(c(c2)N/C=C/2\C(=NN(C2=O)c2ccc(cc2)F)C)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 C28H22F2N6O3 MW 528.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F2N6O3/c1-16-23(27(38)35(33-16)21-8-3-18(29)4-9-21)14-31-20-7-12-26(37)25(13-20)32-15-24-17(2)34-36(28(24)39)22-10-5-19(30)6-11-22/h3-15,31-32,37H,1-2H3/b23-14+,24-15+
InChIKey
UTZQTXAHXSALFA-OZEVPFDHSA-N
Synonyms

(4E)2(4fluorophenyl)4((3(((E)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)4hydroxyanilino)methylidene)5methylpyrazol3one
(4E4E)44((4hydroxybenzene13diyl)bis(imino(E)methylylidene))bis(2(4fluorophenyl)5methyl24dihydro3Hpyrazol3one)
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)O)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C)C5=CC=C(C=C5)F
Fc1ccc(cc1)N1N=C(C(=CNc2ccc(c(c2)NC=C2C(=NN(C2=O)c2ccc(cc2)F)C)O)C1=O)C
InChI=1SC28H22F2N6O3c11623(27(38)35(3316)218318(29)4921)14312071226(37)25(1320)32152417(2)3436(28(24)39)2210519(30)61122h315313237H12H3b2314+2415+
MFCD28032798
ZINC000100148788
ZINC100148788

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Available files

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