Analyte Name

(Z)-alpha-[(Triphenylmethoxy)imino]-2-[(triphenylmethyl)amino]-4-thiazoleethanethioic Acid S-2-Benzothiazolyl Ester-13C,15N2

Molecular Formula

13C C49 H36 15N2 N2 O2 S3

Molecular Weight

824.021

Accurate Mass

823.197

SMILES

O=C(Sc1nc2ccccc2s1)\C(=N\OC(c3ccccc3)(c4ccccc4)c5ccccc5)\c6cs[13c]([15NH]C(c7ccccc7)(c8ccccc8)c9ccccc9)[15n]6

InChI

InChI=1S/C50H36N4O2S3/c55-46(59-48-52-42-33-19-20-34-44(42)58-48)45(54-56-50(39-27-13-4-14-28-39,40-29-15-5-16-30-40)41-31-17-6-18-32-41)43-35-57-47(51-43)53-49(36-21-7-1-8-22-36,37-23-9-2-10-24-37)38-25-11-3-12-26-38/h1-35H,(H,51,53)/b54-45+/i47+1,51+1,53+1

IUPAC

S-(1,3-benzothiazol-2-yl) (2E)-2-[2-(trityl(15N)amino)-(213C,315N)1,3-thiazol-4-yl]-2-trityloxyiminoethanethioate

Unlabelled CAS Number

89605-32-3

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat