Analyte Name

N-(5-(4-((3,4,5,6-D4-2-Hydroxyphenyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide

Molecular Formula

C21 D4 H10 N4 O4 S

Molecular Weight

422.45

Accurate Mass

422.099

SMILES

[2H]c1c([2H])c([2H])c(NC2=CC(=O)C(=CC2=O)c3nnc(NC(=O)c4ccccc4)s3)c(O)c1[2H]

InChI

InChI=1S/C21H14N4O4S/c26-16-9-5-4-8-14(16)22-15-11-17(27)13(10-18(15)28)20-24-25-21(30-20)23-19(29)12-6-2-1-3-7-12/h1-11,22,26H,(H,23,25,29)/i4D,5D,8D,9D

IUPAC

N-[5-[3,6-dioxo-4-(2,3,4,5-tetradeuterio-6-hydroxyanilino)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat