Vitas-M small molecule compound
butyl 4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Catalog ID
STK878556
SMILES CCCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-2-3-10-29-24(28)16-4-7-19(8-5-16)26-13-18(12-25)23-27-20(14-32-23)17-6-9-21-22(11-17)31-15-30-21/h4-9,11,13-14,26H,2-3,10,15H2,1H3/b18-13+InChIKey
TXEPOCYMHXBPTO-QGOAFFKASA-NSynonyms
1021231-29-71021231297
butyl4(((E)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
CCCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
InChI=1SC24H21N3O4Sc123102924(28)164719(8516)261318(1225)232720(143223)17692122(1117)31153021h4911131426H231015H21H3b1813+
MFCD11992905
ZINC000017270528
ZINC17270528
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