For research use only. Not for therapeutic Use.
Catalog Number | R012732 |
CAS Number | 1216898-82-6 |
Synonyms | 2,3-Bis[3-(1-cyano-1-methylethyl)-5-(1H,1,2,4-triazole-1-ylmethyl)phenyl]-2-methylpropionitrile; |
Molecular Formula | C30H31N9 |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | 2,3-bis[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile |
InChI | InChI=1S/C30H31N9/c1-28(2,15-31)25-7-22(6-23(8-25)13-38-20-34-18-36-38)12-30(5,17-33)27-10-24(14-39-21-35-19-37-39)9-26(11-27)29(3,4)16-32/h6-11,18-21H,12-14H2,1-5H3 |
InChIKey | XOBTYKNGXUMRQU-UHFFFAOYSA-N |
SMILES | CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)CC(C)(C#N)C3=CC(=CC(=C3)C(C)(C)C#N)CN4C=NC=N4 |