Vitas-M small molecule compound
hexyl 2-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK537846
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cccc(c1)[N+](=O)[O-])\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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-2-3-4-7-13-33-25(30)21-11-5-6-12-22(21)27-16-19(15-26)24-28-23(17-34-24)18-9-8-10-20(14-18)29(31)32/h5-6,8-12,14,16-17,27H,2-4,7,13H2,1H3/b19-16+InChIKey
KTOOPWFUJXXCMP-KNTRCKAVSA-NSynonyms
(E)hexyl2((2cyano2(4(3nitrophenyl)thiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1cccc(c1)(N+)(=O)(O))C#N
hexyl2(((E)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC25H24N4O4Sc12347133325(30)2111561222(21)271619(1526)242823(173424)18981020(1418)29(31)32h5681214161727H24713H21H3b1916+
MFCD02982412
ZINC000008836190
ZINC08836190
ZINC8836190
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