Vitas-M small molecule compound
(2E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide
Catalog ID
STK821896
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)/C(=O)NCCCn1cncc1
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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 C26H23BrN6O2 MW 531.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN6O2/c1-35-24-9-8-19(15-23(24)27)25-21(17-33(31-25)22-6-3-2-4-7-22)14-20(16-28)26(34)30-10-5-12-32-13-11-29-18-32/h2-4,6-9,11,13-15,17-18H,5,10,12H2,1H3,(H,30,34)/b20-14+InChIKey
SFWAZKCDHWOYHH-XSFVSMFZSA-NSynonyms
(2E)3(3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)2cyanoN(3(1Himidazol1yl)propyl)prop2enamide
(E)3(3(3bromo4methoxyphenyl)1phenylpyrazol4yl)2cyanoN(3imidazol1ylpropyl)prop2enamide
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Br
InChI=1SC26H23BrN6O2c135249819(1523(24)27)2521(1733(3125)226324722)1420(1628)26(34)3010512321311291832h24691113151718H51012H21H3(H3034)b2014+
MFCD03463098
N#CC(=Cc1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)C(=O)NCCCn1cncc1
ZINC000097946984
ZINC97946984
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