Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate
Catalog ID
STK952797
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C(=C/c1ccc(o1)Br)/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 C21H14BrFN2O4S MW 489.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrFN2O4S/c1-2-28-21(27)18-16(12-3-5-14(23)6-4-12)11-30-20(18)25-19(26)13(10-24)9-15-7-8-17(22)29-15/h3-9,11H,2H2,1H3,(H,25,26)/b13-9+InChIKey
ZLXLRPMIZRAVDA-UKTHLTGXSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(=CC3=CC=C(O3)Br)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C(=Cc1ccc(o1)Br)C#N
ethyl2(((2E)3(5bromofuran2yl)2cyanoprop2enoyl)amino)4(4fluorophenyl)thiophene3carboxylate
ethyl2(((E)3(5bromofuran2yl)2cyanoprop2enoyl)amino)4(4fluorophenyl)thiophene3carboxylate
ETHYL2((2E)3(5BROMO(2FURYL))2CYANOPROP2ENOYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC21H14BrFN2O4Sc122821(27)1816(123514(23)6412)113020(18)2519(26)13(1024)9157817(22)2915h3911H2H21H3(H2526)b139+
MFCD06438231
ZINC000012273681
ZINC12273681
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