Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy}-N-(2-methylcyclohexyl)acetamide
Catalog ID
STK287266
SMILES COc1cc(ccc1OCC(=O)NC1CCCCC1C)/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 C26H28N4O3 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3/c1-17-7-3-4-8-20(17)28-25(31)16-33-23-12-11-18(14-24(23)32-2)13-19(15-27)26-29-21-9-5-6-10-22(21)30-26/h5-6,9-14,17,20H,3-4,7-8,16H2,1-2H3,(H,28,31)(H,29,30)/b19-13+InChIKey
JHHZZZISGQTAMO-CPNJWEJPSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(2methylcyclohexyl)acetamide
CC1CCCCC1NC(=O)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)OC
COc1cc(ccc1OCC(=O)NC1CCCCC1C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC26H28N4O3c117734820(17)2825(31)163323121118(1424(23)322)1319(1527)2629219561022(21)3026h569141720H347816H212H3(H2831)(H2930)b1913+
MFCD06760544
ZINC000009187350
ZINC000009187358
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