Analyte Name

Desmethyl Vorolanib-13CD3

Molecular Formula

13C C21 D3 H21 F N5 O3

Molecular Weight

429.467

Accurate Mass

429.209

SMILES

[2H][13C]([2H])([2H])NC(=O)N1CC[C@@H](C1)NC(=O)c2c(C)[nH]c(\C=C\3/C(=O)Nc4ccc(F)cc34)c2C

InChI

InChI=1S/C22H24FN5O3/c1-11-18(9-16-15-8-13(23)4-5-17(15)27-20(16)29)25-12(2)19(11)21(30)26-14-6-7-28(10-14)22(31)24-3/h4-5,8-9,14,25H,6-7,10H2,1-3H3,(H,24,31)(H,26,30)(H,27,29)/b16-9-/t14-/m0/s1/i3+1D3

IUPAC

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3S)-1-(trideuterio(113C)methylcarbamoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat