Vitas-M small molecule compound
(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
Catalog ID
STK185282
SMILES N#C/C(=C\c1ccc(o1)Sc1nc2c([nH]1)cccc2)/C(=O)Nc1ccc(c(c1)C)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 C23H18N4O2S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O2S/c1-14-7-8-17(11-15(14)2)25-22(28)16(13-24)12-18-9-10-21(29-18)30-23-26-19-5-3-4-6-20(19)27-23/h3-12H,1-2H3,(H,25,28)(H,26,27)/b16-12+InChIKey
MLCNHDCIEBCPAB-FOWTUZBSSA-NSynonyms
(2E)3(5(1HBENZIMIDAZOL2YLSULFANYL)FURAN2YL)2CYANON(34DIMETHYLPHENYL)PROP2ENAMIDE
(E)3(5(1HBENZIMIDAZOL2YLSULFANYL)FURAN2YL)2CYANON(34DIMETHYLPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(O2)SC3=NC4=CC=CC=C4N3)C#N)C
InChI=1SC23H18N4O2Sc1147817(1115(14)2)2522(28)16(1324)121891021(2918)30232619534620(19)2723h312H12H3(H2528)(H2627)b1612+
MFCD03729668
N#CC(=Cc1ccc(o1)Sc1nc2c((nH)1)cccc2)C(=O)Nc1ccc(c(c1)C)C
ZINC000001106091
ZINC01106091
ZINC1106091
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