Vitas-M small molecule compound

(2Z)-2-(1H-benzimidazol-2-yl)-3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enenitrile

Catalog ID
STK114061
SMILES N#C/C(=C/c1ccc(c(c1)Br)OCc1ccc(cc1)F)/c1nc2c([nH]1)cccc2

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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 C23H15BrFN3O MW 448.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15BrFN3O/c24-19-12-16(7-10-22(19)29-14-15-5-8-18(25)9-6-15)11-17(13-26)23-27-20-3-1-2-4-21(20)28-23/h1-12H,14H2,(H,27,28)/b17-11-
InChIKey
YNDLUYQGROZZCF-BOPFTXTBSA-N
Synonyms

(2Z)2(1HBENZIMIDAZOL2YL)3(3BROMO4((4FLUOROBENZYL)OXY)PHENYL)PROP2ENENITRILE
(Z)2(1Hbenzimidazol2yl)3(3bromo4((4fluorophenyl)methoxy)phenyl)prop2enenitrile
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)Br)C#N
InChI=1SC23H15BrFN3Oc24191216(71022(19)2914155818(25)9615)1117(1326)232720312421(20)2823h112H14H2(H2728)b1711
MFCD07546280
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)F)c1nc2c((nH)1)cccc2
ZINC000012628383
ZINC12628383

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Available files

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