Vitas-M small molecule compound
ethyl 4-({(E)-2-cyano-2-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878496
SMILES CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)C1CCCCC1)\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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-2-32-27(31)22-12-14-24(15-13-22)29-17-23(16-28)26-30-25(18-33-26)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-15,17-19,29H,2-7H2,1H3/b23-17+InChIKey
XDPCWZUVDRPVBT-HAVVHWLPSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4CCCCC4
ethyl4(((E)2cyano2(4(4cyclohexylphenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC27H27N3O2Sc123227(31)22121424(151322)291723(1628)263025(183326)2110820(91121)196435719h815171929H27H21H3b2317+
MFCD18170333
ZINC000040476965
ZINC40476965
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