Vitas-M small molecule compound
4-({(2E)-3-[5-(benzyloxy)-1H-indol-3-yl]-2-cyanoprop-2-enoyl}amino)benzoic acid
Catalog ID
STL164131
SMILES N#C/C(=C\c1c[nH]c2c1cc(OCc1ccccc1)cc2)/C(=O)Nc1ccc(cc1)C(=O)O
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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 C26H19N3O4 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O4/c27-14-19(25(30)29-21-8-6-18(7-9-21)26(31)32)12-20-15-28-24-11-10-22(13-23(20)24)33-16-17-4-2-1-3-5-17/h1-13,15,28H,16H2,(H,29,30)(H,31,32)/b19-12+InChIKey
VOGDKLMWGQWLPS-XDHOZWIPSA-NSynonyms
4(((2E)3(5(benzyloxy)1Hindol3yl)2cyanoprop2enoyl)amino)benzoicacid
4(((E)2cyano3(5phenylmethoxy1Hindol3yl)prop2enoyl)amino)benzoicacid
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC26H19N3O4c271419(25(30)29218618(7921)26(31)32)1220152824111022(1323(20)24)3316174213517h1131528H16H2(H2930)(H3132)b1912+
MFCD02608928
N#CC(=Cc1c(nH)c2c1cc(OCc1ccccc1)cc2)C(=O)Nc1ccc(cc1)C(=O)O
ZINC000002797275
ZINC2797275
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