Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}-N-(4-cyanophenyl)acetamide
Catalog ID
STL376893
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccc(cc1)C#N)/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 C27H21N5O3 MW 463.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O3/c1-2-34-25-14-19(13-20(16-29)27-31-22-5-3-4-6-23(22)32-27)9-12-24(25)35-17-26(33)30-21-10-7-18(15-28)8-11-21/h3-14H,2,17H2,1H3,(H,30,33)(H,31,32)/b20-13+InChIKey
OVIBCTLEUYZGAA-DEDYPNTBSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenoxy)N(4cyanophenyl)acetamide
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=CC=C(C=C4)C#N
CCOc1cc(ccc1OCC(=O)Nc1ccc(cc1)C#N)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC27H21N5O3c1234251419(1320(1629)273122534623(22)3227)91224(25)351726(33)302110718(1528)81121h314H217H21H3(H3033)(H3132)b2013+
MFCD08106979
ZINC000009187530
ZINC09187530
ZINC9187530
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