Vitas-M small molecule compound
4-({4-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK183171
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)N1CCOCC1
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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 C23H22N2O6 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6/c1-29-21-13-17(12-19(14-24)22(26)25-8-10-30-11-9-25)4-7-20(21)31-15-16-2-5-18(6-3-16)23(27)28/h2-7,12-13H,8-11,15H2,1H3,(H,27,28)/b19-12+InChIKey
YRYXYKZKMGLCIA-XDHOZWIPSA-NSynonyms
4((4((1E)2CYANO3(MORPHOLIN4YL)3OXOPROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((1E)2CYANO3MORPHOLIN4YL3OXOPROP1ENYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)2CYANO3MORPHOLIN4YL3OXOPROP1ENYL)2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC23H22N2O6c129211317(1219(1424)22(26)258103011925)4720(21)3115162518(6316)23(27)28h271213H81115H21H3(H2728)b1912+
MFCD02614516
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)C(=O)N1CCOCC1
ZINC000009323058
ZINC9323058
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