Vitas-M small molecule compound
butyl 4-(5-{(E)-[(3-cyano-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridin-2-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STL378619
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/c1sc2c(c1C#N)C1CCN2CC1
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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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-2-3-14-31-26(30)19-6-4-17(5-7-19)22-9-8-20(32-22)16-28-24-21(15-27)23-18-10-12-29(13-11-18)25(23)33-24/h4-9,16,18H,2-3,10-14H2,1H3/b28-16+InChIKey
XSZGQWGYNQNGMB-LQKURTRISA-NSynonyms
butyl4(5((E)((3cyano56dihydro4H47ethanothieno(23b)pyridin2yl)imino)methyl)furan2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC3=C(C4=C(S3)N5CCC4CC5)C#N
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=Nc1sc2c(c1C#N)C1CCN2CC1
InChI=1SC26H25N3O3Sc123143126(30)196417(5719)229820(3222)16282421(1527)2318101229(131118)25(23)3324h491618H231014H21H3b2816+
MFCD03614157
ZINC000003662642
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