Vitas-M small molecule compound
methyl N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-{[(3-methylphenyl)carbonyl]amino}alaninate
Catalog ID
STK792118
SMILES COC(=O)C(C(F)(F)F)(Nc1c(C#N)cnn1c1ccccc1)NC(=O)c1cccc(c1)C
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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 C22H18F3N5O3 MW 457.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N5O3/c1-14-7-6-8-15(11-14)19(31)29-21(20(32)33-2,22(23,24)25)28-18-16(12-26)13-27-30(18)17-9-4-3-5-10-17/h3-11,13,28H,1-2H3,(H,29,31)InChIKey
UDICYRLTOUNYGA-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=C(C=NN2C3=CC=CC=C3)C#N
InChI=1SC22H18F3N5O3c11476815(1114)19(31)2921(20(32)33222(2324)25)281816(1226)132730(18)1794351017h3111328H12H3(H2931)
methyl2((4cyano2phenylpyrazol3yl)amino)333trifluoro2((3methylbenzoyl)amino)propanoate
methylN(4cyano1phenyl1Hpyrazol5yl)333trifluoro2(((3methylphenyl)carbonyl)amino)alaninate
MFCD07620941
ZINC000012462727
ZINC000100225619
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