Vitas-M small molecule compound
trans-4-{[({[(2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid
Catalog ID
STL517017
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)NC[C@@H]1CC[C@H](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 C28H31NO9 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO9/c1-34-21-11-8-18(26(35-2)27(21)36-3)12-23-25(31)20-10-9-19(13-22(20)38-23)37-15-24(30)29-14-16-4-6-17(7-5-16)28(32)33/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,29,30)(H,32,33)/b23-12-/t16-,17-InChIKey
QJCSHJSUFPZUDJ-GOIQHQRTSA-NSynonyms
(1r4r)4((2(((Z)3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetamido)methyl)cyclohexanecarboxylicacid
COc1c(ccc(c1OC)OC)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O
InChI=1SC28H31NO9c1342111818(26(352)27(21)363)122325(31)2010919(1322(20)3823)371524(30)2914164617(7516)28(32)33h8131617H471415H213H3(H2930)(H3233)b2312t1617
MFCD06766258
trans4((((((2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000253388489
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