Vitas-M small molecule compound
hexyl 2-({(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK536450
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)CC)\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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-3-5-6-9-16-32-27(31)23-10-7-8-11-24(23)29-18-22(17-28)26-30-25(19-33-26)21-14-12-20(4-2)13-15-21/h7-8,10-15,18-19,29H,3-6,9,16H2,1-2H3/b22-18+InChIKey
VRVVOYNLFVSDIR-RELWKKBWSA-NSynonyms
(E)hexyl2((2cyano2(4(4ethylphenyl)thiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc(cc1)CC)C#N
hexyl2(((E)2cyano2(4(4ethylphenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC27H29N3O2Sc13569163227(31)2310781124(23)291822(1728)263025(193326)21141220(42)131521h781015181929H36916H212H3b2218+
MFCD02983880
ZINC000009057848
ZINC09057848
ZINC9057848
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