Analyte Name

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide

CAS Number

202590-98-5

Molecular Formula

C25 H22 Cl N5 O2 S

Molecular Weight

491.993

Accurate Mass

491.118

SMILES

Cc1sc2c(C(=N[C@@H](CC(=O)Nc3ccc(O)cc3)c4nnc(C)n24)c5ccc(Cl)cc5)c1C

InChI

InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1

IUPAC

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat