Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy}-N-[2-(morpholin-4-yl)phenyl]acetamide
Catalog ID
STK287281
SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1N1CCOCC1)/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 C29H27N5O4 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4/c1-36-27-17-20(16-21(18-30)29-32-22-6-2-3-7-23(22)33-29)10-11-26(27)38-19-28(35)31-24-8-4-5-9-25(24)34-12-14-37-15-13-34/h2-11,16-17H,12-15,19H2,1H3,(H,31,35)(H,32,33)/b21-16+InChIKey
VYXYXECCSVBHRS-LTGZKZEYSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(2(morpholin4yl)phenyl)acetamide
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(2morpholin4ylphenyl)acetamide
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=CC=CC=C4N5CCOCC5
COc1cc(ccc1OCC(=O)Nc1ccccc1N1CCOCC1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC29H27N5O4c136271720(1621(1830)293222623723(22)3329)101126(27)381928(35)3124845925(24)34121437151334h2111617H121519H21H3(H3135)(H3233)b2116+
MFCD06761523
ZINC000009187364
ZINC09187364
ZINC9187364
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