Vitas-M small molecule compound
2-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
Catalog ID
STK811487
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)Nc1cccc(c1)C(F)(F)F)\C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
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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 C37H30F6N4O3 MW 692.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30F6N4O3/c1-2-3-19-50-31-17-15-24(16-18-31)33-25(23-47(46-33)30-13-5-4-6-14-30)20-32(34(48)44-28-11-7-9-26(21-28)36(38,39)40)35(49)45-29-12-8-10-27(22-29)37(41,42)43/h4-18,20-23H,2-3,19H2,1H3,(H,44,48)(H,45,49)InChIKey
DVFQQHIJUIOJBX-UHFFFAOYSA-NSynonyms
2((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)NNbis(3(trifluoromethyl)phenyl)propanediamide
2((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)NNBIS(3(TRIFLUOROMETHYL)PHENYL)PROPANEDIAMIDE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5
CCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
InChI=1SC37H30F6N4O3c123195031171524(161831)3325(2347(4633)30135461430)2032(34(48)4428117926(2128)36(3839)40)35(49)45291281027(2229)37(4142)43h4182023H2319H21H3(H4448)(H4549)
MFCD06264873
ZINC000098046324
ZINC98046324
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.