Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-yl}prop-2-enenitrile
Catalog ID
STK192204
SMILES N#C/C(=C/c1cc(c(o1)Sc1ccc(cc1)C)Br)/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 C21H14BrN3OS MW 436.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3OS/c1-13-6-8-16(9-7-13)27-21-17(22)11-15(26-21)10-14(12-23)20-24-18-4-2-3-5-19(18)25-20/h2-11H,1H3,(H,24,25)/b14-10-InChIKey
XNZIRWLQLAKHNR-UVTDQMKNSA-NSynonyms
(2Z)2(1HBENZIMIDAZOL2YL)3(4BROMO5((4METHYLPHENYL)SULFANYL)FURAN2YL)PROP2ENENITRILE
(2Z)2BENZIMIDAZOL2YL3(4BROMO5(4METHYLPHENYLTHIO)(2FURYL))PROP2ENENITRILE
(Z)2(1Hbenzimidazol2yl)3(4bromo5(4methylphenyl)sulfanylfuran2yl)prop2enenitrile
CC1=CC=C(C=C1)SC2=C(C=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)Br
InChI=1SC21H14BrN3OSc1136816(9713)272117(22)1115(2621)1014(1223)202418423519(18)2520h211H1H3(H2425)b1410
MFCD03762704
N#CC(=Cc1cc(c(o1)Sc1ccc(cc1)C)Br)c1nc2c((nH)1)cccc2
ZINC000012362981
ZINC12362981
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