Vitas-M small molecule compound
(2E)-3-(2-chloro-6-fluorophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL417580
SMILES N#C/C(=C\c1c(F)cccc1Cl)/c1[nH]c2c(n1)cc(c(c2)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 C18H13ClFN3 MW 325.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN3/c1-10-6-16-17(7-11(10)2)23-18(22-16)12(9-21)8-13-14(19)4-3-5-15(13)20/h3-8H,1-2H3,(H,22,23)/b12-8+InChIKey
JPBWLQYKIJKXOB-XYOKQWHBSA-NSynonyms
(2E)3(2chloro6fluorophenyl)2(56dimethyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(2chloro6fluorophenyl)2(56dimethyl1Hbenzimidazol2yl)prop2enenitrile
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(C=CC=C3Cl)F)C#N
InChI=1SC18H13ClFN3c11061617(711(10)2)2318(2216)12(921)81314(19)43515(13)20h38H12H3(H2223)b128+
MFCD07437595
N#CC(=Cc1c(F)cccc1Cl)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000009235908
ZINC09235908
ZINC9235908
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