Vitas-M small molecule compound
{4-[(1E)-2-cyano-3-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxoprop-1-en-1-yl]phenoxy}acetic acid
Catalog ID
STK070499
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OCC(=O)O)/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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-2-28-21(27)15-5-7-17(8-6-15)23-20(26)16(12-22)11-14-3-9-18(10-4-14)29-13-19(24)25/h3-11H,2,13H2,1H3,(H,23,26)(H,24,25)/b16-11+InChIKey
ZDPNQRXCLTWZJA-LFIBNONCSA-NSynonyms
402605-82-7(4((1E)2CYANO3((4(ETHOXYCARBONYL)PHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETICACID
2(4((E)2CYANO3(4ETHOXYCARBONYLANILINO)3OXOPROP1ENYL)PHENOXY)ACETICACID
402605827
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)O)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OCC(=O)O)C#N
InChI=1SC21H18N2O6c122821(27)155717(8615)2320(26)16(1222)11143918(10414)291319(24)25h311H213H21H3(H2326)(H2425)b1611+
MFCD02611580
STK070499
ZINC000002774386
ZINC2774386
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