Vitas-M small molecule compound

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

Catalog ID
STK823508
SMILES CCCOc1ccc(cc1C)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/c1-3-17-50-32-16-15-24(18-23(32)2)33-25(22-47(46-33)30-13-5-4-6-14-30)19-31(34(48)44-28-11-7-9-26(20-28)36(38,39)40)35(49)45-29-12-8-10-27(21-29)37(41,42)43/h4-16,18-22H,3,17H2,1-2H3,(H,44,48)(H,45,49)
InChIKey
LPRVRVRTODOZPJ-UHFFFAOYSA-N
Synonyms

2((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)NNbis(3(trifluoromethyl)phenyl)propanediamide
2((3(3methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)NNbis(3(trifluoromethyl)phenyl)propanediamide
CCCOC1=C(C=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)C
CCCOc1ccc(cc1C)c1nn(cc1C=C(C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
InChI=1SC37H30F6N4O3c13175032161524(1823(32)2)3325(2247(4633)30135461430)1931(34(48)4428117926(2028)36(3839)40)35(49)45291281027(2129)37(4142)43h4161822H317H212H3(H4448)(H4549)
MFCD03464009
ZINC000150481118
ZINC150481118

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Available files

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