Vitas-M small molecule compound
2-cyanobenzyl 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoate
Catalog ID
STK287214
SMILES N#Cc1ccccc1COC(=O)c1cc(ccc1Cl)c1ccc(o1)/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 C29H17ClN4O3 MW 504.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H17ClN4O3/c30-24-11-9-18(14-23(24)29(35)36-17-20-6-2-1-5-19(20)15-31)27-12-10-22(37-27)13-21(16-32)28-33-25-7-3-4-8-26(25)34-28/h1-14H,17H2,(H,33,34)/b21-13+InChIKey
ZJFYWLNKAUVIAD-FYJGNVAPSA-NSynonyms
(2CYANOPHENYL)METHYL5(5((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)FURAN2YL)2CHLOROBENZOATE
2CYANOBENZYL5(5((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)FURAN2YL)2CHLOROBENZOATE
C1=CC=C(C(=C1)COC(=O)C2=C(C=CC(=C2)C3=CC=C(O3)C=C(C#N)C4=NC5=CC=CC=C5N4)Cl)C#N
InChI=1SC29H17ClN4O3c302411918(1423(24)29(35)361720621519(20)1531)27121022(3727)1321(1632)283325734826(25)3428h114H17H2(H3334)b2113+
MFCD07065557
N#Cc1ccccc1COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C(c1nc2c((nH)1)cccc2)C#N
ZINC000009187280
ZINC09187280
ZINC9187280
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