Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile hydrochloride
Catalog ID
STL431365
SMILES COc1cc(cc(c1OCC(C)C)Br)/C=C(/c1nc2c([nH]1)cccc2)\C#N.Cl
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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 C21H21BrClN3O2 MW 462.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O2.ClH/c1-13(2)12-27-20-16(22)9-14(10-19(20)26-3)8-15(11-23)21-24-17-6-4-5-7-18(17)25-21;/h4-10,13H,12H2,1-3H3,(H,24,25);1H/b15-8+;InChIKey
HFJYEQBNDGHKLR-TWNLEINFSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3bromo5methoxy4(2methylpropoxy)phenyl)prop2enenitrilehydrochloride
(E)2(1Hbenzimidazol2yl)3(3bromo5methoxy4(2methylpropoxy)phenyl)prop2enenitrilehydrochloride
CC(C)COC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=CC=CC=C3N2)OCCl
COc1cc(cc(c1OCC(C)C)Br)C=C(c1nc2c((nH)1)cccc2)C#NCl
InChI=1SC21H20BrN3O2ClHc113(2)12272016(22)914(1019(20)263)815(1123)212417645718(17)2521h41013H12H213H3(H2425)1Hb158+
MFCD05042069
ZINC000016575318
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