Vitas-M small molecule compound
(2E)-2-cyano-3-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK799169
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C(/C(=O)NCC1CCCO1)\C#N)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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-3-33-23-11-12-25(19(2)14-23)26-21(18-31(30-26)22-8-5-4-6-9-22)15-20(16-28)27(32)29-17-24-10-7-13-34-24/h4-6,8-9,11-12,14-15,18,24H,3,7,10,13,17H2,1-2H3,(H,29,32)/b20-15+InChIKey
XEZZGUQBYHJFLU-HMMYKYKNSA-NSynonyms
(2E)2CYANO3(3(4ETHOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)N(OXOLAN2YLMETHYL)PROP2ENAMIDE
(2E)2cyano3(3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(E)2CYANO3(3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)N(OXOLAN2YLMETHYL)PROP2ENAMIDE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCC1CCCO1)C#N)c1ccccc1
InChI=1SC27H28N4O3c133323111225(19(2)1423)2621(1831(3026)228546922)1520(1628)27(32)291724107133424h4689111214151824H37101317H212H3(H2932)b2015+
MFCD03462313
ZINC000016700748
ZINC000016700751
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