Vitas-M small molecule compound
ethyl 2-({(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK739755
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C#N)sc2c1CCCC2
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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 C25H21BrN2O4S MW 525.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O4S/c1-2-31-25(30)22-19-5-3-4-6-21(19)33-24(22)28-23(29)16(14-27)13-18-11-12-20(32-18)15-7-9-17(26)10-8-15/h7-13H,2-6H2,1H3,(H,28,29)/b16-13+InChIKey
BXMJTFIOMJGWAE-DTQAZKPQSA-NSynonyms
299955-26-3(E)ethyl2(3(5(4bromophenyl)furan2yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
299955263
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)Br)C#N)sc2c1CCCC2
ethyl2(((2E)3(5(4bromophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(5(4bromophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H21BrN2O4Sc123125(30)2219534621(19)3324(22)2823(29)16(1427)1318111220(3218)157917(26)10815h713H26H21H3(H2829)b1613+
MFCD00791804
ZINC000002300968
ZINC2300968
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