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Product Overview

Product Code

TRC-C117595

CAS Number

1175961-96-2

Product Format

Neat

Molecular Formula

C25 H22 F3 N5 O

Molecular Weight

465.47

Product Categories

TRC

Product Information

Analyte Name

1-(3-Cyanophenyl)-3-((1S,4S)-4-(3,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)cyclopent-2-en-1-yl) Urea

CAS Number

1175961-96-2

Molecular Formula

C25 H22 F3 N5 O

Molecular Weight

465.47

Accurate Mass

465.178

SMILES

Cc1nn(c(C)c1[C@H]2C[C@H](NC(=O)Nc3cccc(c3)C#N)C=C2)c4ccc(cc4)C(F)(F)F

InChI

InChI=1S/C25H22F3N5O/c1-15-23(16(2)33(32-15)22-10-7-19(8-11-22)25(26,27)28)18-6-9-21(13-18)31-24(34)30-20-5-3-4-17(12-20)14-29/h3-12,18,21H,13H2,1-2H3,(H2,30,31,34)/t18-,21-/m1/s1

IUPAC

1-(3-cyanophenyl)-3-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]urea

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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