Product Code

TRC-A808275

CAS Number

2057509-72-3

Product Format

Neat

Molecular Formula

C22H28ClN5O2

Molecular Weight

429.94

Product Categories

TRC

Product Type

Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)-2-pyridyl]cyclohexanecarboxamide

CAS Number

2057509-72-3

Molecular Formula

C22H28ClN5O2

Molecular Weight

429.94

Accurate Mass

429.1932

SMILES

O=C([C@@H]1C[C@H](NC(C)=O)CCC1)NC2=NC=C(Cl)C(C3=C(CC(C)(C)C4)N4N=C3)=C2

InChI

InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1

IUPAC

(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)-2-pyridyl]cyclohexanecarboxamide

Product Data

Country of Origin

CANADA

Product Format

Neat

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