rel-4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(prop-1-en-2-yl)-1H-1,2,4-triazol-5(4H)-one

Analyte Name

rel-4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(prop-1-en-2-yl)-1H-1,2,4-triazol-5(4H)-one

CAS Number

2818909-56-5

Molecular Formula

C34H34Cl2N8O4

Molecular Weight

689.59

Accurate Mass

688.21

SMILES

ClC1=CC(Cl)=CC=C1[C@]2(CN3C=NC=N3)O[C@@H](COC4=CC=C(N5CCN(C6=CC=C(N7C=NN(C(C)=C)C7=O)C=C6)CC5)C=C4)CO2

InChI

InChI=1S/C34H34Cl2N8O4/c1-24(2)44-33(45)43(23-39-44)28-6-4-26(5-7-28)40-13-15-41(16-14-40)27-8-10-29(11-9-27)46-18-30-19-47-34(48-30,20-42-22-37-21-38-42)31-12-3-25(35)17-32(31)36/h3-12,17,21-23,30H,1,13-16,18-20H2,2H3/t30-,34-/m0/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat