Vitas-M small molecule compound
methyl 5-carbamoyl-2-{[(2E)-2-cyano-3-{2-[(2-fluorobenzyl)oxy]phenyl}prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK435071
SMILES N#C/C(=C\c1ccccc1OCc1ccccc1F)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
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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 C25H20FN3O5S MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O5S/c1-14-20(25(32)33-2)24(35-21(14)22(28)30)29-23(31)17(12-27)11-15-7-4-6-10-19(15)34-13-16-8-3-5-9-18(16)26/h3-11H,13H2,1-2H3,(H2,28,30)(H,29,31)/b17-11+InChIKey
XGHUJSQOYPKXGZ-GZTJUZNOSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3F)C#N)C(=O)N
InChI=1SC25H20FN3O5Sc11420(25(32)332)24(3521(14)22(28)30)2923(31)17(1227)11157461019(15)341316835918(16)26h311H13H212H3(H22830)(H2931)b1711+
METHYL2((2E)2CYANO3(2((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
methyl5carbamoyl2(((2E)2cyano3(2((2fluorobenzyl)oxy)phenyl)prop2enoyl)amino)4methylthiophene3carboxylate
METHYL5CARBAMOYL2(((E)2CYANO3(2((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03943107
N#CC(=Cc1ccccc1OCc1ccccc1F)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
ZINC000020294891
ZINC20294891
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.