Vitas-M small molecule compound
(4E,4'E)-4,4'-{(4-chlorobenzene-1,3-diyl)bis[imino(E)methylylidene]}bis[5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Catalog ID
STL294993
SMILES Clc1ccc(cc1N/C=C/1\C(=NN(C1=O)c1ccccc1C)C)N/C=C/1\C(=NN(C1=O)c1ccccc1C)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 C30H27ClN6O2 MW 539.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN6O2/c1-18-9-5-7-11-27(18)36-29(38)23(20(3)34-36)16-32-22-13-14-25(31)26(15-22)33-17-24-21(4)35-37(30(24)39)28-12-8-6-10-19(28)2/h5-17,32-33H,1-4H3/b23-16+,24-17+InChIKey
PEWNSLROSFETIN-WPHIWBHXSA-NSynonyms
(4E)4((4chloro3(((E)(3methyl1(2methylphenyl)5oxopyrazol4ylidene)methyl)amino)anilino)methylidene)5methyl2(2methylphenyl)pyrazol3one
(4E4E)44((4chlorobenzene13diyl)bis(imino(E)methylylidene))bis(5methyl2(2methylphenyl)24dihydro3Hpyrazol3one)
CC1=CC=CC=C1N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)NC=C4C(=NN(C4=O)C5=CC=CC=C5C)C)C(=N2)C
Clc1ccc(cc1NC=C1C(=NN(C1=O)c1ccccc1C)C)NC=C1C(=NN(C1=O)c1ccccc1C)C
InChI=1SC30H27ClN6O2c1189571127(18)3629(38)23(20(3)3436)163222131425(31)26(1522)33172421(4)3537(30(24)39)2812861019(28)2h5173233H14H3b2316+2417+
MFCD28032855
ZINC000101140602
ZINC101140602
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