Vitas-M small molecule compound
ethyl 5-acetyl-2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STL341792
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)F)/C#N)sc(c1C)C(=O)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 C22H18FN3O3S2 MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O3S2/c1-4-29-22(28)18-12(2)19(13(3)27)31-21(18)25-10-15(9-24)20-26-17(11-30-20)14-5-7-16(23)8-6-14/h5-8,10-11,25H,4H2,1-3H3/b15-10-InChIKey
AXRISMDNDYTKQO-GDNBJRDFSA-NSynonyms
585554-27-4(Z)ethyl5acetyl2((2cyano2(4(4fluorophenyl)thiazol2yl)vinyl)amino)4methylthiophene3carboxylate
585554274
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)F
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)F)C#N)sc(c1C)C(=O)C
ethyl5acetyl2(((Z)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)4methylthiophene3carboxylate
InChI=1SC22H18FN3O3S2c142922(28)1812(2)19(13(3)27)3121(18)251015(924)202617(113020)145716(23)8614h58101125H4H213H3b1510
MFCD04030101
ZINC000002391690
ZINC02391690
ZINC2391690
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