Analyte Name

Bomedemstat

CAS Number

1990504-34-1

Molecular Formula

C28 H34 F N7 O2

Molecular Weight

519.614

Accurate Mass

519.276

SMILES

CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]2C[C@H]2c3ccc(F)cc3)NC(=O)c4ccc(cc4)n5ccnn5

InChI

InChI=1S/C28H34FN7O2/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37)/t24-,25-,26+/m0/s1

IUPAC

N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat