Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}prop-2-enenitrile

Catalog ID
STK113216
SMILES COc1cc(cc(c1OCc1cccc(c1)F)Br)/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 C24H17BrFN3O2 MW 478.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrFN3O2/c1-30-22-12-16(9-17(13-27)24-28-20-7-2-3-8-21(20)29-24)11-19(25)23(22)31-14-15-5-4-6-18(26)10-15/h2-12H,14H2,1H3,(H,28,29)/b17-9+
InChIKey
RXYWLNBXNJDTAG-RQZCQDPDSA-N
Synonyms

(2E)2(1HBENZIMIDAZOL2YL)3(3BROMO4((3FLUOROBENZYL)OXY)5METHOXYPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3BROMO4((3FLUOROPHENYL)METHOXY)5METHOXYPHENYL)PROP2ENENITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC(=CC=C4)F
COc1cc(cc(c1OCc1cccc(c1)F)Br)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC24H17BrFN3O2c130221216(917(1327)242820723821(20)2924)1119(25)23(22)31141554618(26)1015h212H14H21H3(H2829)b179+
MFCD05149698
ZINC000009187083
ZINC09187083
ZINC9187083

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Available files

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