Vitas-M small molecule compound
methyl 2-{[(2E)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK472701
SMILES CCOc1cc(/C=C(/C(=O)Nc2sccc2C(=O)OC)\C#N)cc(c1OCC)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 C20H19BrN2O5S MW 479.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O5S/c1-4-27-16-10-12(9-15(21)17(16)28-5-2)8-13(11-22)18(24)23-19-14(6-7-29-19)20(25)26-3/h6-10H,4-5H2,1-3H3,(H,23,24)/b13-8+InChIKey
QTYASKZCKVVZGX-MDWZMJQESA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)Br)OCC
CCOc1cc(C=C(C(=O)Nc2sccc2C(=O)OC)C#N)cc(c1OCC)Br
InChI=1SC20H19BrN2O5Sc1427161012(915(21)17(16)2852)813(1122)18(24)231914(672919)20(25)263h610H45H213H3(H2324)b138+
methyl2(((2E)3(3bromo45diethoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
methyl2(((E)3(3bromo45diethoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
METHYL2((2E)3(3BROMO45DIETHOXYPHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093246
ZINC000020175616
ZINC20175616
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