Vitas-M small molecule compound
(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK728086
SMILES N#C/C(=C\c1cc2OCOc2cc1Br)/c1nc2c([nH]1)ccc(c2)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 C18H12BrN3O2 MW 382.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrN3O2/c1-10-2-3-14-15(4-10)22-18(21-14)12(8-20)5-11-6-16-17(7-13(11)19)24-9-23-16/h2-7H,9H2,1H3,(H,21,22)/b12-5+InChIKey
QBAHDSKTCKVARG-LFYBBSHMSA-NSynonyms
(2E)3(6bromo13benzodioxol5yl)2(5methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(6BROMO13BENZODIOXOL5YL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
3(6BROMO13BENZODIOXOL5YL)2(5METHYL1HBENZIMIDAZOL2YL)ACRYLONITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3Br)OCO4)C#N
InChI=1SC18H12BrN3O2c110231415(410)2218(2114)12(820)51161617(713(11)19)2492316h27H9H21H3(H2122)b125+
MFCD00827838
N#CC(=Cc1cc2OCOc2cc1Br)c1nc2c((nH)1)ccc(c2)C
ZINC000004696817
ZINC04696817
ZINC4696817
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