Vitas-M small molecule compound
butyl 4-(5-{(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL418780
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/NC(=S)NCC=C
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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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-3-5-13-25-19(24)16-8-6-15(7-9-16)18-11-10-17(26-18)14-22-23-20(27)21-12-4-2/h4,6-11,14H,2-3,5,12-13H2,1H3,(H2,21,23,27)/b22-14+InChIKey
CKRWQPBURXVHFY-HYARGMPZSA-NSynonyms
butyl4(5((E)(2(prop2en1ylcarbamothioyl)hydrazinylidene)methyl)furan2yl)benzoate
butyl4(5((E)(prop2enylcarbamothioylhydrazinylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)NCC=C
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=NNC(=S)NCC=C
InChI=1SC20H23N3O3Sc135132519(24)168615(7916)18111017(2618)14222320(27)211242h461114H2351213H21H3(H2212327)b2214+
MFCD02951751
ZINC000005707719
ZINC35227685
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