Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{2-[(2,4-dichlorobenzyl)oxy]-5-nitrophenyl}prop-2-enenitrile
Catalog ID
STK755656
SMILES N#C/C(=C/c1cc(ccc1OCc1ccc(cc1Cl)Cl)[N+](=O)[O-])/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 C23H14Cl2N4O3 MW 465.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14Cl2N4O3/c24-17-6-5-14(19(25)11-17)13-32-22-8-7-18(29(30)31)10-15(22)9-16(12-26)23-27-20-3-1-2-4-21(20)28-23/h1-11H,13H2,(H,27,28)/b16-9-InChIKey
OBKAVJSPHVSCCB-SXGWCWSVSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(2((24dichlorobenzyl)oxy)5nitrophenyl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(2((24DICHLOROPHENYL)METHOXY)5NITROPHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=C(C=CC(=C3)(N+)(=O)(O))OCC4=C(C=C(C=C4)Cl)Cl)C#N
InChI=1SC23H14Cl2N4O3c24176514(19(25)1117)1332228718(29(30)31)1015(22)916(1226)232720312421(20)2823h111H13H2(H2728)b169
MFCD01113447
N#CC(=Cc1cc(ccc1OCc1ccc(cc1Cl)Cl)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000008809505
ZINC08809505
ZINC8809505
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