Analyte Name

(3Z)-2,3-Dihydro-3-(((4-(methyl(2-(4-methyl-1-piperazinyl)acetyl)amino)phenyl)amino)phenylmethylene)-2-oxo-1H-indole-6-carboxylate Cesium-d3

Molecular Formula

C30 D3 H27 Cs N5 O4

Molecular Weight

660.514

Accurate Mass

660.154

SMILES

[2H]C([2H])([2H])N1CCN(CC(=O)N(C)c2ccc(N\C(=C\3/C(=O)Nc4cc(ccc34)C(=O)O[Cs])\c5ccccc5)cc2)CC1

InChI

InChI=1S/C30H31N5O4.Cs/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37;/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39);/q;+1/p-1/b28-27-;/i1D3;

IUPAC

[(3Z)-3-[[4-[methyl-[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carbonyl]oxycesium

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat