Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949533
SMILES CCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1sc(c(c1C(=O)OCC)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 C24H28N2O5S MW 456.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5S/c1-6-8-11-31-19-10-9-17(13-20(19)29-5)12-18(14-25)22(27)26-23-21(24(28)30-7-2)15(3)16(4)32-23/h9-10,12-13H,6-8,11H2,1-5H3,(H,26,27)/b18-12+InChIKey
XTSLVRTYCJBEMF-LDADJPATSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)OC
CCCCOc1ccc(cc1OC)C=C(C(=O)Nc1sc(c(c1C(=O)OCC)C)C)C#N
ethyl2(((2E)3(4butoxy3methoxyphenyl)2cyanoprop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)3(4BUTOXY3METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4BUTOXY3METHOXYPHENYL)2CYANOPROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H28N2O5Sc16811311910917(1320(19)295)1218(1425)22(27)262321(24(28)3072)15(3)16(4)3223h9101213H6811H215H3(H2627)b1812+
MFCD02957077
ZINC000002669836
ZINC02669836
ZINC2669836
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