Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile
Catalog ID
STL432712
SMILES COc1ccc(cc1Br)/C=C(/c1nc2c([nH]1)cccc2)\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 C17H12BrN3O MW 354.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+InChIKey
RFHRVXNDACUGCG-XYOKQWHBSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3bromo4methoxyphenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3BROMO4METHOXYPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3BROMO4METHOXYPHENYL)PROP2ENENITRILE
COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br
COc1ccc(cc1Br)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC17H12BrN3Oc122167611(913(16)18)812(1019)172014423515(14)2117h29H1H3(H2021)b128+
MFCD00815526
ZINC000005285657
ZINC05285657
ZINC5285657
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