Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}prop-2-enenitrile
Catalog ID
STK112981
SMILES CCOc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)/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 C25H19Cl2N3O2 MW 464.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl2N3O2/c1-2-31-24-13-16(8-10-23(24)32-15-17-7-9-19(26)20(27)12-17)11-18(14-28)25-29-21-5-3-4-6-22(21)30-25/h3-13H,2,15H2,1H3,(H,29,30)/b18-11+InChIKey
QPRMLHQHAMGNRM-WOJGMQOQSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(4((34DICHLOROBENZYL)OXY)3ETHOXYPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(4((34DICHLOROPHENYL)METHOXY)3ETHOXYPHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC(=C(C=C4)Cl)Cl
CCOc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H19Cl2N3O2c1231241316(81023(24)3215177919(26)20(27)1217)1118(1428)252921534622(21)3025h313H215H21H3(H2930)b1811+
MFCD05149701
ZINC000009187108
ZINC09187108
ZINC9187108
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