Vitas-M small molecule compound
N-({[(2E)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Catalog ID
STL514577
SMILES COc1ccc(cc1)/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=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 C21H19NO7 MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7/c1-27-14-4-2-13(3-5-14)10-18-21(26)16-7-6-15(11-17(16)29-18)28-12-19(23)22-9-8-20(24)25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23)(H,24,25)/b18-10+InChIKey
AVASXTLYECXGAI-VCHYOVAHSA-NSynonyms
864761-13-7(E)3(2((2(4methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)propanoicacid
3((2(((2~(E))2((4methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)propanoicacid
3((2(((2E)2((4METHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETYL)AMINO)PROPANOICACID
6236018
864761137
COc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O
InChI=1SC21H19NO7c127144213(3514)101821(26)167615(1117(16)2918)281219(23)229820(24)25h271011H8912H21H3(H2223)(H2425)b1810+
MFCD07637802
N((((2E)2(4methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)betaalanine
ZINC000004090897
ZINC4090897
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