Vitas-M small molecule compound
methyl 5-[({4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy}acetyl)amino]-2-chlorobenzoate
Catalog ID
STK289358
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)COc1ccc(cc1)/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 C26H19ClN4O4 MW 486.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN4O4/c1-34-26(33)20-13-18(8-11-21(20)27)29-24(32)15-35-19-9-6-16(7-10-19)12-17(14-28)25-30-22-4-2-3-5-23(22)31-25/h2-13H,15H2,1H3,(H,29,32)(H,30,31)/b17-12+InChIKey
TUQBFFJURXAVBV-SFQUDFHCSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl
COC(=O)c1cc(ccc1Cl)NC(=O)COc1ccc(cc1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC26H19ClN4O4c13426(33)201318(81121(20)27)2924(32)1535199616(71019)1217(1428)253022423523(22)3125h213H15H21H3(H2932)(H3031)b1712+
methyl5(((4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)2chlorobenzoate
methyl5((2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)2chlorobenzoate
MFCD09960245
ZINC000013945077
ZINC13945077
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