Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-bromo-2-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK492671
SMILES CCOc1ccc(cc1/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C)\C#N)Br
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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 C22H22BrN3O5S MW 520.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O5S/c1-6-31-16-8-7-15(23)10-13(16)9-14(11-24)19(27)25-20-17(22(29)30-5)12(2)18(32-20)21(28)26(3)4/h7-10H,6H2,1-5H3,(H,25,27)/b14-9+InChIKey
UBYDZECKVAQKLU-NTEUORMPSA-NSynonyms
CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC
CCOc1ccc(cc1C=C(C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C)C#N)Br
InChI=1SC22H22BrN3O5Sc1631168715(23)1013(16)914(1124)19(27)252017(22(29)305)12(2)18(3220)21(28)26(3)4h710H6H215H3(H2527)b149+
methyl2(((2E)3(5bromo2ethoxyphenyl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
methyl2(((E)3(5bromo2ethoxyphenyl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2((2E)3(5BROMO2ETHOXYPHENYL)2CYANOPROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05641941
ZINC000020177044
ZINC20177044
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