Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)alaninate

Catalog ID
STK543479
SMILES COC(=O)C(C(F)(F)F)(Nc1cc(nn1c1ccccc1)C)NC(=O)c1ccccc1F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H18F4N4O3 MW 450.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F4N4O3/c1-13-12-17(29(28-13)14-8-4-3-5-9-14)26-20(19(31)32-2,21(23,24)25)27-18(30)15-10-6-7-11-16(15)22/h3-12,26H,1-2H3,(H,27,30)
InChIKey
FHZRICVWRLYMFX-UHFFFAOYSA-N
Synonyms
524716-23-2
(R)methyl333trifluoro2(2fluorobenzamido)2((3methyl1phenyl1Hpyrazol5yl)amino)propanoate
333TRIFLUORO2(2FLUOROBENZOYLAMINO)2(5METHYL2PHENYL2HPYRAZOL3YLAMINO)PROPIONICACIDMETHYLESTER
524716232
CC1=NN(C(=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CC=C2F)C3=CC=CC=C3
InChI=1SC21H18F4N4O3c1131217(29(2813)148435914)2620(19(31)32221(2324)25)2718(30)1510671116(15)22h31226H12H3(H2730)
methyl333trifluoro2(((2fluorophenyl)carbonyl)amino)N(3methyl1phenyl1Hpyrazol5yl)alaninate
METHYL333TRIFLUORO2((2FLUOROBENZOYL)AMINO)2((3METHYL1PHENYL1HPYRAZOL5YL)AMINO)PROPANOATE
METHYL333TRIFLUORO2((2FLUOROBENZOYL)AMINO)2((5METHYL2PHENYLPYRAZOL3YL)AMINO)PROPANOATE
MFCD03291171
ZINC000002337104
ZINC000002337105

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.