Analyte Name

Allithiamine

CAS Number

554-44-9

Molecular Formula

C15 H22 N4 O2 S2

Molecular Weight

354.491

Accurate Mass

354.118

SMILES

C\C(=C(/CCO)\SSCC=C)\N(Cc1cnc(C)nc1N)C=O

InChI

InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11-

IUPAC

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-(prop-2-enyldisulfanyl)pent-2-en-2-yl]formamide

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

API

Product Format

Neat

Purity

>95% (HPLC)