Vitas-M small molecule compound
(2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK705226
SMILES N#C/C(=C/c1cn(nc1c1cc2c(o1)cccc2)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1
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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 C25H20N4O4S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4S/c26-14-18(25(30)27-20-10-11-34(31,32)16-20)12-19-15-29(21-7-2-1-3-8-21)28-24(19)23-13-17-6-4-5-9-22(17)33-23/h1-9,12-13,15,20H,10-11,16H2,(H,27,30)/b18-12-InChIKey
ABSBSHIPKPFBIW-PDGQHHTCSA-NSynonyms
(2Z)3(3(1benzofuran2yl)1phenyl1Hpyrazol4yl)2cyanoN(11dioxidotetrahydrothiophen3yl)prop2enamide
(Z)3(3(1benzofuran2yl)1phenylpyrazol4yl)2cyanoN(11dioxothiolan3yl)prop2enamide
C1CS(=O)(=O)CC1NC(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N
InChI=1SC25H20N4O4Sc261418(25(30)2720101134(3132)1620)12191529(217213821)2824(19)231317645922(17)3323h1912131520H101116H2(H2730)b1812
MFCD04446756
N#CC(=Cc1cn(nc1c1cc2c(o1)cccc2)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000009223183
ZINC000009223184
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