Vitas-M small molecule compound

N-({[(2Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-alanine

Catalog ID
STL534867
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@@H](C(=O)O)C)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 C23H23NO9 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO9/c1-12(23(27)28)24-21(25)11-32-14-5-6-15-17(9-14)33-20(22(15)26)8-13-7-18(30-3)19(31-4)10-16(13)29-2/h5-10,12H,11H2,1-4H3,(H,24,25)(H,27,28)/b20-8-/t12-/m1/s1
InChIKey
WUVMMFOSIFRARJ-JPTRRLIOSA-N
Synonyms
956947-79-8
(2~(R))2((2(((2~(Z))3oxo2((245trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)propanoicacid
(RZ)2(2((3oxo2(245trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetamido)propanoicacid
16404270
956947798
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@@H)(C(=O)O)C)OC
InChI=1SC23H23NO9c112(23(27)28)2421(25)113214561517(914)3320(22(15)26)813718(303)19(314)1016(13)292h51012H11H214H3(H2425)(H2728)b208t12m1s1
N((((2Z)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)Dalanine
ZINC000008790435
ZINC8790435

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.