Vitas-M small molecule compound

methyl 2-[({4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy}acetyl)amino]benzoate

Catalog ID
STK287264
SMILES COC(=O)c1ccccc1NC(=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 C26H20N4O4 MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O4/c1-33-26(32)20-6-2-3-7-21(20)28-24(31)16-34-19-12-10-17(11-13-19)14-18(15-27)25-29-22-8-4-5-9-23(22)30-25/h2-14H,16H2,1H3,(H,28,31)(H,29,30)/b18-14+
InChIKey
SUSKXGATCVQDSR-NBVRZTHBSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3
COC(=O)c1ccccc1NC(=O)COc1ccc(cc1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC26H20N4O4c13326(32)20623721(20)2824(31)163419121017(111319)1418(1527)252922845923(22)3025h214H16H21H3(H2831)(H2930)b1814+
methyl2(((4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)benzoate
METHYL2((2(4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)PHENOXY)ACETYL)AMINO)BENZOATE
MFCD06760541
ZINC000009187344
ZINC09187344
ZINC9187344

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Available files

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