Vitas-M small molecule compound
4,4'-[(4-chlorobenzene-1,3-diyl)bis(iminomethylylidene)]bis[2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one]
Catalog ID
STK670967
SMILES Clc1cccc(c1)N1N=C(/C(=C\Nc2ccc(c(c2)N/C=C/2\C(=NN(C2=O)c2cccc(c2)Cl)C)Cl)/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 C28H21Cl3N6O2 MW 579.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21Cl3N6O2/c1-16-23(27(38)36(34-16)21-7-3-5-18(29)11-21)14-32-20-9-10-25(31)26(13-20)33-15-24-17(2)35-37(28(24)39)22-8-4-6-19(30)12-22/h3-15,32-33H,1-2H3/b23-14+,24-15-InChIKey
FDHULDKYQKRREM-KZSQTELISA-NSynonyms
(4E)4((4chloro3(((Z)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)anilino)methylidene)2(3chlorophenyl)5methylpyrazol3one
44((4chlorobenzene13diyl)bis(iminomethylylidene))bis(2(3chlorophenyl)5methyl24dihydro3Hpyrazol3one)
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)Cl)NC=C3C(=NN(C3=O)C4=CC(=CC=C4)Cl)C)C5=CC(=CC=C5)Cl
Clc1cccc(c1)N1N=C(C(=CNc2ccc(c(c2)NC=C2C(=NN(C2=O)c2cccc(c2)Cl)C)Cl)C1=O)C
InChI=1SC28H21Cl3N6O2c11623(27(38)36(3416)2173518(29)1121)14322091025(31)26(1320)33152417(2)3537(28(24)39)2284619(30)1222h3153233H12H3b2314+2415
MFCD00740474
ZINC000100041056
ZINC000100041065
ZINC100041059
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