Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK195480
SMILES N#C/C(=C/c1ccc(o1)Sc1nc2c([nH]1)cccc2)/c1nc2c([nH]1)cccc2
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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 C21H13N5OS MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N5OS/c22-12-13(20-23-15-5-1-2-6-16(15)24-20)11-14-9-10-19(27-14)28-21-25-17-7-3-4-8-18(17)26-21/h1-11H,(H,23,24)(H,25,26)/b13-11-InChIKey
BHFDXBKLIVWUOH-QBFSEMIESA-NSynonyms
(2Z)2(1HBENZIMIDAZOL2YL)3(5(1HBENZIMIDAZOL2YLSULFANYL)FURAN2YL)PROP2ENENITRILE
(2Z)2BENZIMIDAZOL2YL3(5BENZIMIDAZOL2YLTHIO(2FURYL))PROP2ENENITRILE
(Z)2(1HBENZIMIDAZOL2YL)3(5(1HBENZIMIDAZOL2YLSULFANYL)FURAN2YL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)SC4=NC5=CC=CC=C5N4)C#N
InChI=1SC21H13N5OSc221213(202315512616(15)2420)111491019(2714)28212517734818(17)2621h111H(H2324)(H2526)b1311
MFCD03547829
N#CC(=Cc1ccc(o1)Sc1nc2c((nH)1)cccc2)c1nc2c((nH)1)cccc2
ZINC000004705560
ZINC04705560
ZINC4705560
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