Vitas-M small molecule compound
ethyl 2-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK803977
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc(c1C)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 C21H18N4O4S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S2/c1-4-29-21(26)18-12(2)13(3)31-20(18)23-10-15(9-22)19-24-17(11-30-19)14-5-7-16(8-6-14)25(27)28/h5-8,10-11,23H,4H2,1-3H3/b15-10-InChIKey
GNDCIHGEHLYIRN-GDNBJRDFSA-NSynonyms
(E)ethyl2((2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)amino)45dimethylthiophene3carboxylate
CCOC(=O)C1=C(SC(=C1C)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
ethyl2(((Z)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)amino)45dimethylthiophene3carboxylate
InChI=1SC21H18N4O4S2c142921(26)1812(2)13(3)3120(18)231015(922)192417(113019)145716(8614)25(27)28h58101123H4H213H3b1510
MFCD05729140
ZINC000009424152
ZINC09424152
ZINC9424152
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