Vitas-M small molecule compound
hexyl 2-({(E)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK535931
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1C)C)\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/c1-4-5-6-9-14-32-27(31)23-10-7-8-11-24(23)29-17-21(16-28)26-30-25(18-33-26)22-13-12-19(2)15-20(22)3/h7-8,10-13,15,17-18,29H,4-6,9,14H2,1-3H3/b21-17+InChIKey
DPITZKSHMYIJKN-HEHNFIMWSA-NSynonyms
(E)hexyl2((2cyano2(4(24dimethylphenyl)thiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=C(C=C(C=C3)C)C
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc(cc1C)C)C#N
hexyl2(((E)2cyano2(4(24dimethylphenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC27H29N3O2Sc14569143227(31)2310781124(23)291721(1628)263025(183326)22131219(2)1520(22)3h78101315171829H46914H213H3b2117+
MFCD02982596
ZINC000008838324
ZINC08838324
ZINC8838324
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