Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK454613
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(s2)Br)/C#N)sc(c1C)C(=O)N(C)C
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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 C19H18BrN3O4S2 MW 496.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O4S2/c1-5-27-19(26)14-10(2)15(18(25)23(3)4)29-17(14)22-16(24)11(9-21)8-12-6-7-13(20)28-12/h6-8H,5H2,1-4H3,(H,22,24)/b11-8+InChIKey
JRXUBJURIRNEIV-DHZHZOJOSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(=CC2=CC=C(S2)Br)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(s2)Br)C#N)sc(c1C)C(=O)N(C)C
ethyl2(((2E)3(5bromothiophen2yl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ethyl2(((E)3(5bromothiophen2yl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((2E)3(5BROMO(2THIENYL))2CYANOPROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H18BrN3O4S2c152719(26)1410(2)15(18(25)23(3)4)2917(14)2216(24)11(921)8126713(20)2812h68H5H214H3(H2224)b118+
MFCD04222104
ZINC000020167974
ZINC20167974
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