Vitas-M small molecule compound
(2R)-[({[(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)amino](phenyl)ethanoic acid
Catalog ID
STL534621
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@H](c1ccccc1)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 C27H23NO8 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO8/c1-33-20-10-6-9-17(26(20)34-2)13-22-25(30)19-12-11-18(14-21(19)36-22)35-15-23(29)28-24(27(31)32)16-7-4-3-5-8-16/h3-14,24H,15H2,1-2H3,(H,28,29)(H,31,32)/b22-13-/t24-/m1/s1InChIKey
OOADLWBTJWWEHC-RWTNITNYSA-NSynonyms
956820-13-6(2~(R))2((2(((2~(Z))2((23dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)2phenylaceticacid
(2R)(((((2Z)2(23dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)amino)(phenyl)ethanoicacid
(RZ)2(2((2(23DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)2PHENYLACETICACID
16405125
956820136
COc1c(cccc1OC)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(c1ccccc1)C(=O)O
InChI=1SC27H23NO8c13320106917(26(20)342)132225(30)19121118(1421(19)3622)351523(29)2824(27(31)32)167435816h31424H15H212H3(H2829)(H3132)b2213t24m1s1
ZINC000008791286
ZINC8791286
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