Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STK287286
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccc2c(c1)OCCO2)/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 C28H24N4O5 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O5/c1-2-34-25-14-18(13-19(16-29)28-31-21-5-3-4-6-22(21)32-28)7-9-24(25)37-17-27(33)30-20-8-10-23-26(15-20)36-12-11-35-23/h3-10,13-15H,2,11-12,17H2,1H3,(H,30,33)(H,31,32)/b19-13+InChIKey
ZIIKFMZIUZDCHC-CPNJWEJPSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenoxy)N(23dihydro14benzodioxin6yl)acetamide
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=CC5=C(C=C4)OCCO5
CCOc1cc(ccc1OCC(=O)Nc1ccc2c(c1)OCCO2)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC28H24N4O5c1234251418(1319(1629)283121534622(21)3228)7924(25)371727(33)30208102326(1520)3612113523h3101315H2111217H21H3(H3033)(H3132)b1913+
MFCD06761255
ZINC000009187402
ZINC09187402
ZINC9187402
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