Vitas-M small molecule compound
methyl 2-({(2E)-3-[4-(acetyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl}amino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK434844
SMILES CCOc1cc(ccc1OC(=O)C)/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C)\C#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 C24H25N3O7S MW 499.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O7S/c1-7-33-18-11-15(8-9-17(18)34-14(3)28)10-16(12-25)21(29)26-22-19(24(31)32-6)13(2)20(35-22)23(30)27(4)5/h8-11H,7H2,1-6H3,(H,26,29)/b16-10+InChIKey
HWEAEYODKBYTKV-MHWRWJLKSA-NSynonyms
4((1E)2(N(5(NNDIMETHYLCARBAMOYL)3(METHOXYCARBONYL)4METHYL(2THIENYL))CARBAMOYL)2CYANOVINYL)2ETHOXYPHENYLACETATE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=C(C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C)C#N
InChI=1SC24H25N3O7Sc1733181115(8917(18)3414(3)28)1016(1225)21(29)262219(24(31)326)13(2)20(3522)23(30)27(4)5h811H7H216H3(H2629)b1610+
methyl2(((2E)3(4(acetyloxy)3ethoxyphenyl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)3(4ACETYLOXY3ETHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04054386
ZINC000020175812
ZINC20175812
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.