Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK287691
SMILES COc1cc(/C=C(/c2nc3c([nH]2)cccc3)\C#N)cc(c1OC)I
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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 C18H14IN3O2 MW 431.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14IN3O2/c1-23-16-9-11(8-13(19)17(16)24-2)7-12(10-20)18-21-14-5-3-4-6-15(14)22-18/h3-9H,1-2H3,(H,21,22)/b12-7+InChIKey
QXAXBZTUFYSUSJ-KPKJPENVSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3iodo45dimethoxyphenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3IODO45DIMETHOXYPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3IODO45DIMETHOXYPHENYL)PROP2ENENITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)I)OC
COc1cc(C=C(c2nc3c((nH)2)cccc3)C#N)cc(c1OC)I
InChI=1SC18H14IN3O2c12316911(813(19)17(16)242)712(1020)182114534615(14)2218h39H12H3(H2122)b127+
MFCD03547469
ZINC000009187127
ZINC09187127
ZINC9187127
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