Vitas-M small molecule compound
hexyl 2-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Catalog ID
STK535409
SMILES CCCCCCOC(=O)c1ccccc1N/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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-2-3-4-7-12-31-26(30)20-8-5-6-9-21(20)28-15-19(14-27)25-29-22(16-34-25)18-10-11-23-24(13-18)33-17-32-23/h5-6,8-11,13,15-16,28H,2-4,7,12,17H2,1H3/b19-15+InChIKey
IVFHZYMSTRKFGM-XDJHFCHBSA-NSynonyms
(E)hexyl2((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
hexyl2(((E)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)benzoate
InChI=1SC26H25N3O4Sc12347123126(30)20856921(20)281519(1427)252922(163425)1810112324(1318)33173223h5681113151628H2471217H21H3b1915+
MFCD02982999
ZINC000009007700
ZINC09007700
ZINC9007700
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