Vitas-M small molecule compound
(4E,4'E)-4,4'-{(4-methylbenzene-1,3-diyl)bis[imino(E)methylylidene]}bis[2-(2,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one]
Catalog ID
STL295488
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2ccc(c(c2)N/C=C/2\C(=NN(C2=O)c2ccc(cc2C)C)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 C33H34N6O2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N6O2/c1-19-8-12-30(22(4)14-19)38-32(40)27(24(6)36-38)17-34-26-11-10-21(3)29(16-26)35-18-28-25(7)37-39(33(28)41)31-13-9-20(2)15-23(31)5/h8-18,34-35H,1-7H3/b27-17+,28-18+InChIKey
OFFKTUCJONEJDY-XUIWWLCJSA-NSynonyms
(4E)2(24DIMETHYLPHENYL)4((3(((E)(1(24DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)4METHYLANILINO)METHYLIDENE)5METHYLPYRAZOL3ONE
(4E4E)44((4methylbenzene13diyl)bis(imino(E)methylylidene))bis(2(24dimethylphenyl)5methyl24dihydro3Hpyrazol3one)
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)C)NC=C4C(=NN(C4=O)C5=C(C=C(C=C5)C)C)C)C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2ccc(c(c2)NC=C2C(=NN(C2=O)c2ccc(cc2C)C)C)C)C1=O)C
InChI=1SC33H34N6O2c11981230(22(4)1419)3832(40)27(24(6)3638)173426111021(3)29(1626)35182825(7)3739(33(28)41)3113920(2)1523(31)5h8183435H17H3b2717+2818+
MFCD00606358
ZINC000101114391
ZINC101114391
Check stock
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Check stock on Vitas-MAvailable files
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