Vitas-M small molecule compound
ethyl 5-acetyl-2-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STL055490
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/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 C22H18N4O5S2 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S2/c1-4-31-22(28)18-12(2)19(13(3)27)33-21(18)24-10-15(9-23)20-25-17(11-32-20)14-5-7-16(8-6-14)26(29)30/h5-8,10-11,24H,4H2,1-3H3/b15-10-InChIKey
MROIFDSLBMGLLA-GDNBJRDFSA-NSynonyms
(E)ethyl5acetyl2((2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)amino)4methylthiophene3carboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)(N+)(=O)(O))C#N)sc(c1C)C(=O)C
ethyl5acetyl2(((Z)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)amino)4methylthiophene3carboxylate
InChI=1SC22H18N4O5S2c143122(28)1812(2)19(13(3)27)3321(18)241015(923)202517(113220)145716(8614)26(29)30h58101124H4H213H3b1510
MFCD05730833
ZINC000009459417
ZINC9459417
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