Vitas-M small molecule compound
1-({[(2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)piperidine-4-carboxylic acid
Catalog ID
STL515838
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1CCC(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 C26H27NO9 MW 497.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO9/c1-32-19-7-4-16(24(33-2)25(19)34-3)12-21-23(29)18-6-5-17(13-20(18)36-21)35-14-22(28)27-10-8-15(9-11-27)26(30)31/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,30,31)/b21-12-InChIKey
YBWIAEIOEVTIHX-MTJSOVHGSA-NSynonyms
859668-52-3(Z)1(2((3OXO2(234TRIMETHOXYBENZYLIDENE)23DIHYDROBENZOFURAN6YL)OXY)ACETYL)PIPERIDINE4CARBOXYLICACID
1((((2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)piperidine4carboxylicacid
1(2(((2~(Z))3oxo2((234trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)piperidine4carboxylicacid
16403653
859668523
COc1c(ccc(c1OC)OC)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N1CCC(CC1)C(=O)O
InChI=1SC26H27NO9c132197416(24(332)25(19)343)122123(29)186517(1320(18)3621)351422(28)2710815(91127)26(30)31h47121315H81114H213H3(H3031)b2112
MFCD06764894
ZINC000012881120
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