4-Cyano MDMB-BUTINACA

Analyte Name

4-cyano MDMB-BUTINACA

CAS Number

1185888-30-5

Molecular Formula

C20 H26 N4 O3

Molecular Weight

370.44

Accurate Mass

370.2005

SMILES

COC(=O)[C@@H](NC(=O)c1nn(CCCCC#N)c2ccccc12)C(C)(C)C

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,13H2,1-4H3,(H,22,25)/t17-/m1/s1

IUPAC

methyl (2S)-2-[[1-(4-cyanobutyl)indazole-3-carbonyl]amino]-3,3-dimethyl-butanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)