Vitas-M small molecule compound
trans-4-{[({[(2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid
Catalog ID
STL514580
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)OC
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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 C27H29NO8 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO8/c1-33-19-8-10-22(34-2)18(11-19)12-24-26(30)21-9-7-20(13-23(21)36-24)35-15-25(29)28-14-16-3-5-17(6-4-16)27(31)32/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,28,29)(H,31,32)/b24-12-/t16-,17-InChIKey
MAAWNBWDNYESKW-GSGGNARUSA-NSynonyms
(1r4r)4((2(((Z)2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)methyl)cyclohexanecarboxylicacid
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O)OC
InChI=1SC27H29NO8c1331981022(342)18(1119)122426(30)219720(1323(21)3624)351525(29)2814163517(6416)27(31)32h7131617H361415H212H3(H2829)(H3132)b2412t1617
MFCD06765908
trans4((((((2Z)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252694549
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