Vitas-M small molecule compound

2-({3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide

Catalog ID
STK811494
SMILES C=CCOc1ccc(c(c1)C)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 C37H28F6N4O3 MW 690.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H28F6N4O3/c1-3-17-50-30-15-16-31(23(2)18-30)33-24(22-47(46-33)29-13-5-4-6-14-29)19-32(34(48)44-27-11-7-9-25(20-27)36(38,39)40)35(49)45-28-12-8-10-26(21-28)37(41,42)43/h3-16,18-22H,1,17H2,2H3,(H,44,48)(H,45,49)
InChIKey
HSFNWJQMOGRPIH-UHFFFAOYSA-N
Synonyms

2((3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)NNbis(3(trifluoromethyl)phenyl)propanediamide
2((3(2METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)NNBIS(3(TRIFLUOROMETHYL)PHENYL)PROPANEDIAMIDE
C=CCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
CC1=C(C=CC(=C1)OCC=C)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
InChI=1SC37H28F6N4O3c13175030151631(23(2)1830)3324(2247(4633)29135461429)1932(34(48)4427117925(2027)36(3839)40)35(49)45281281026(2128)37(4142)43h3161822H117H22H3(H4448)(H4549)
MFCD06264878
ZINC000098046325
ZINC98046325

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Available files

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