Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(2-bromo-4,5-diethoxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK472713
SMILES CCOc1cc(/C=C(/C(=O)Nc2sccc2C(=O)OC(C)C)\C#N)c(cc1OCC)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 C22H23BrN2O5S MW 507.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O5S/c1-5-28-18-10-14(17(23)11-19(18)29-6-2)9-15(12-24)20(26)25-21-16(7-8-31-21)22(27)30-13(3)4/h7-11,13H,5-6H2,1-4H3,(H,25,26)/b15-9+InChIKey
CFAVOSZWZGZRSU-OQLLNIDSSA-NSynonyms
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C)Br)OCC
CCOc1cc(C=C(C(=O)Nc2sccc2C(=O)OC(C)C)C#N)c(cc1OCC)Br
InChI=1SC22H23BrN2O5Sc1528181014(17(23)1119(18)2962)915(1224)20(26)252116(783121)22(27)3013(3)4h71113H56H214H3(H2526)b159+
METHYLETHYL2((2E)3(2BROMO45DIETHOXYPHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093411
propan2yl2(((2E)3(2bromo45diethoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)3(2bromo45diethoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ZINC000020175495
ZINC20175495
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