Product Code

TRC-N894252

CAS Number

2953072-28-9

Product Format

Neat

Molecular Formula

C27H19D9N4O3S2

Molecular Weight

529.72

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1418013-75-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

NMS-873-d9

CAS Number

2953072-28-9

Molecular Formula

C27H19D9N4O3S2

Molecular Weight

529.72

Accurate Mass

529.22

SMILES

O=S(C1=CC=C(C2=CC=C(OCC3=NN=C(SC4(C([2H])(C([2H])(C([2H])(C4([2H])[2H])[2H])[2H])[2H])[2H])N3C5=CN=CC=C5)C=C2C)C=C1)(C)=O

InChI

InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3/i3D2,4D2,7D2,8D2,23D

IUPAC

3-(3-((cyclopentyl-d9)thio)-5-(((2-methyl-4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)oxy)methyl)-4H-1,2,4-triazol-4-yl)pyridine

Unlabelled CAS Number

1418013-75-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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