Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy}-N-(2-bromo-4,5-dimethylphenyl)acetamide
Catalog ID
STK287682
SMILES COc1cc(ccc1OCC(=O)Nc1cc(C)c(cc1Br)C)/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 C27H23BrN4O3 MW 531.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN4O3/c1-16-10-20(28)23(11-17(16)2)30-26(33)15-35-24-9-8-18(13-25(24)34-3)12-19(14-29)27-31-21-6-4-5-7-22(21)32-27/h4-13H,15H2,1-3H3,(H,30,33)(H,31,32)/b19-12+InChIKey
AMJVGGHCPAIBJI-XDHOZWIPSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(2bromo45dimethylphenyl)acetamide
2(4(2(1HBENZIMIDAZOL2YL)2CYANOVINYL)2METHOXYPHENOXY)N(2BROMO45DIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1C)Br)NC(=O)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)OC
COc1cc(ccc1OCC(=O)Nc1cc(C)c(cc1Br)C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC27H23BrN4O3c1161020(28)23(1117(16)2)3026(33)1535249818(1325(24)343)1219(1429)273121645722(21)3227h413H15H213H3(H3033)(H3132)b1912+
MFCD03865188
ZINC000008426017
ZINC08426017
ZINC8426017
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