Vitas-M small molecule compound
ethyl 5-[({4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy}acetyl)amino]-2-chlorobenzoate
Catalog ID
STK287276
SMILES CCOC(=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 C27H21ClN4O4 MW 500.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O4/c1-2-35-27(34)21-14-19(9-12-22(21)28)30-25(33)16-36-20-10-7-17(8-11-20)13-18(15-29)26-31-23-5-3-4-6-24(23)32-26/h3-14H,2,16H2,1H3,(H,30,33)(H,31,32)/b18-13+InChIKey
MPRAVGPTHLFADU-QGOAFFKASA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl
CCOC(=O)c1cc(ccc1Cl)NC(=O)COc1ccc(cc1)C=C(c1nc2c((nH)1)cccc2)C#N
ethyl5(((4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)2chlorobenzoate
ethyl5((2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)2chlorobenzoate
InChI=1SC27H21ClN4O4c123527(34)211419(91222(21)28)3025(33)16362010717(81120)1318(1529)263123534624(23)3226h314H216H21H3(H3033)(H3132)b1813+
MFCD06760641
ZINC000009187391
ZINC09187391
ZINC9187391
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