Vitas-M small molecule compound
4,4'-[benzene-1,2-diylbis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Catalog ID
STK751264
SMILES Cc1ccc(cc1)N1N=C(/C(=C\Nc2ccccc2N/C=C/2\C(=NN(C2=O)c2ccc(cc2)C)C)/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 C30H28N6O2 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N6O2/c1-19-9-13-23(14-10-19)35-29(37)25(21(3)33-35)17-31-27-7-5-6-8-28(27)32-18-26-22(4)34-36(30(26)38)24-15-11-20(2)12-16-24/h5-18,31-32H,1-4H3/b25-17-,26-18+InChIKey
HMTBNJNBWGIYML-WTHRLWDASA-NSynonyms
(4E)5METHYL4((2(((Z)(3METHYL1(4METHYLPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)AMINO)ANILINO)METHYLIDENE)2(4METHYLPHENYL)PYRAZOL3ONE
44(benzene12diylbis(iminomethylylidene))bis(5methyl2(4methylphenyl)24dihydro3Hpyrazol3one)
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3NC=C4C(=NN(C4=O)C5=CC=C(C=C5)C)C)C(=N2)C
Cc1ccc(cc1)N1N=C(C(=CNc2ccccc2NC=C2C(=NN(C2=O)c2ccc(cc2)C)C)C1=O)C
InChI=1SC30H28N6O2c11991323(141019)3529(37)25(21(3)3335)173127756828(27)32182622(4)3436(30(26)38)24151120(2)121624h5183132H14H3b25172618+
MFCD00746764
ZINC000012447761
ZINC000095481268
ZINC15134079
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