Product Code

TRC-S101220

CAS Number

1071517-39-9

Product Format

Neat

Molecular Formula

C25 H25 F N4 O6 S2

Molecular Weight

560.618

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Setrobuvir

CAS Number

1071517-39-9

Molecular Formula

C25 H25 F N4 O6 S2

Molecular Weight

560.618

Accurate Mass

560.12

SMILES

CS(=O)(=O)Nc1ccc2NC(=NS(=O)(=O)c2c1)C3=C(O)[C@@H]4[C@H]5CC[C@H](C5)[C@@H]4N(Cc6ccc(F)cc6)C3=O

InChI

InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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