Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK492668
SMILES CCOc1cc(ccc1O)/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 C22H23N3O6S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6S/c1-6-31-16-10-13(7-8-15(16)26)9-14(11-23)19(27)24-20-17(22(29)30-5)12(2)18(32-20)21(28)25(3)4/h7-10,26H,6H2,1-5H3,(H,24,27)/b14-9+InChIKey
PSQDLAFSLHTRRQ-NTEUORMPSA-NSynonyms
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)O
CCOc1cc(ccc1O)C=C(C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C)C#N
InChI=1SC22H23N3O6Sc1631161013(7815(16)26)914(1123)19(27)242017(22(29)305)12(2)18(3220)21(28)25(3)4h71026H6H215H3(H2427)b149+
methyl2(((2E)2cyano3(3ethoxy4hydroxyphenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
methyl2(((E)2cyano3(3ethoxy4hydroxyphenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2((2E)2CYANO3(3ETHOXY4HYDROXYPHENYL)PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05642109
ZINC000020175736
ZINC20175736
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.