Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK287305
SMILES CCOc1cc(ccc1OCC(=O)Nc1cc(ccc1Cl)C(F)(F)F)/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 C27H20ClF3N4O3 MW 540.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClF3N4O3/c1-2-37-24-12-16(11-17(14-32)26-34-20-5-3-4-6-21(20)35-26)7-10-23(24)38-15-25(36)33-22-13-18(27(29,30)31)8-9-19(22)28/h3-13H,2,15H2,1H3,(H,33,36)(H,34,35)/b17-11+InChIKey
AGRQBNNNUVISSU-GZTJUZNOSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenoxy)N(2chloro5(trifluoromethyl)phenyl)acetamide
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl
CCOc1cc(ccc1OCC(=O)Nc1cc(ccc1Cl)C(F)(F)F)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC27H20ClF3N4O3c1237241216(1117(1432)263420534621(20)3526)71023(24)381525(36)33221318(27(2930)31)8919(22)28h313H215H21H3(H3336)(H3435)b1711+
MFCD06761336
ZINC000097962143
ZINC97962143
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