Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile
Catalog ID
STK327441
SMILES COc1cc(ccc1OCCC(C)C)/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 C22H23N3O2 MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O2/c1-15(2)10-11-27-20-9-8-16(13-21(20)26-3)12-17(14-23)22-24-18-6-4-5-7-19(18)25-22/h4-9,12-13,15H,10-11H2,1-3H3,(H,24,25)/b17-12+InChIKey
KQZUKDVBZWRUEW-SFQUDFHCSA-NSynonyms
353781-41-6(2E)2(1HBENZIMIDAZOL2YL)3(3METHOXY4(3METHYLBUTOXY)PHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3METHOXY4(3METHYLBUTOXY)PHENYL)PROP2ENENITRILE
353781416
CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC
COc1cc(ccc1OCCC(C)C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC22H23N3O2c115(2)101127209816(1321(20)263)1217(1423)222418645719(18)2522h49121315H1011H213H3(H2425)b1712+
MFCD01032332
ZINC000005071090
ZINC05071090
ZINC5071090
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