Analyte Name

Vapendavir-d5

CAS Number

2738376-73-1

Molecular Formula

C21H21D5N4O3

Molecular Weight

387.49

Accurate Mass

387.23

SMILES

[2H]C(C([2H])([2H])[2H])(OC1=NOC2=CC(OCCC3CCN(CC3)C4=CC=C(N=N4)C)=CC=C12)[2H]

InChI

InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3/i1D3,3D2

IUPAC

3-(ethoxy-d5)-6-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzo[d]isoxazole

Unlabelled CAS Number

439085-51-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled

Product Format

Neat