Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK904759
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N(C)C)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 C25H25N5O5S2 MW 539.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O5S2/c1-29(2)37(34,35)23-10-6-7-18(14-23)24-20(16-30(28-24)22-8-4-3-5-9-22)13-19(15-26)25(31)27-21-11-12-36(32,33)17-21/h3-10,13-14,16,21H,11-12,17H2,1-2H3,(H,27,31)/b19-13+InChIKey
RQRZZJDAVHTRCV-CPNJWEJPSA-NSynonyms
1008579-93-8(2E)2cyano3(3(3(dimethylsulfamoyl)phenyl)1phenyl1Hpyrazol4yl)N(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)2CYANO3(3(3(DIMETHYLSULFAMOYL)PHENYL)1PHENYLPYRAZOL4YL)N(11DIOXOTHIOLAN3YL)PROP2ENAMIDE
(E)2cyano3(3(3(NNdimethylsulfamoyl)phenyl)1phenyl1Hpyrazol4yl)N(11dioxidotetrahydrothiophen3yl)acrylamide
1008579938
CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4
InChI=1SC25H25N5O5S2c129(2)37(3435)23106718(1423)2420(1630(2824)228435922)1319(1526)25(31)2721111236(3233)1721h31013141621H111217H212H3(H2731)b1913+
MFCD04155347
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N(C)C)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000002400627
ZINC000101092346
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.