Vitas-M small molecule compound
(2E)-3-[5-bromo-3-methoxy-2-(prop-2-yn-1-yloxy)phenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK287155
SMILES C#CCOc1c(cc(cc1OC)Br)/C=C(/c1[nH]c2c(n1)cc(c(c2)C)C)\C#N
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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 C22H18BrN3O2 MW 436.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O2/c1-5-6-28-21-15(10-17(23)11-20(21)27-4)9-16(12-24)22-25-18-7-13(2)14(3)8-19(18)26-22/h1,7-11H,6H2,2-4H3,(H,25,26)/b16-9+InChIKey
QUCCSPHHCNRJDN-CXUHLZMHSA-NSynonyms
(2E)3(5bromo3methoxy2(prop2yn1yloxy)phenyl)2(56dimethyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(5BROMO3METHOXY2PROP2YNOXYPHENYL)2(56DIMETHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
C#CCOc1c(cc(cc1OC)Br)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=CC(=C3OCC#C)OC)Br)C#N
InChI=1SC22H18BrN3O2c156282115(1017(23)1120(21)274)916(1224)222518713(2)14(3)819(18)2622h1711H6H224H3(H2526)b169+
MFCD07178757
ZINC000013943464
ZINC13943464
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