Vitas-M small molecule compound

methyl N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-D-phenylalaninate

Catalog ID
STL525765
SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C29H25NO9 MW 531.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO9/c1-35-29(34)21(11-17-5-3-2-4-6-17)30-26(32)16-38-19-13-22(31)27-25(14-19)39-15-20(28(27)33)18-7-8-23-24(12-18)37-10-9-36-23/h2-8,12-15,21,31H,9-11,16H2,1H3,(H,30,32)/t21-/m1/s1
InChIKey
VUAWWDOTSSJERT-OAQYLSRUSA-N
Synonyms
219545-96-7
(R)methyl2(2((3(23dihydrobenzo(b)(14)dioxin6yl)5hydroxy4oxo4Hchromen7yl)oxy)acetamido)3phenylpropanoate
219545967
5541657
COC(=O)(C@@H)(Cc1ccccc1)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2
InChI=1SC29H25NO9c13529(34)21(11175324617)3026(32)1638191322(31)2725(1419)391520(28(27)33)18782324(1218)371093623h2812152131H91116H21H3(H3032)t21m1s1
methyl(2~(R))2((2(3(23dihydro14benzodioxin6yl)5hydroxy4oxochromen7yl)oxyacetyl)amino)3phenylpropanoate
METHYL(2R)2((2(3(23DIHYDRO14BENZODIOXIN6YL)5HYDROXY4OXOCHROMEN7YL)OXYACETYL)AMINO)3PHENYLPROPANOATE
methylN(((3(23dihydro14benzodioxin6yl)5hydroxy4oxo4Hchromen7yl)oxy)acetyl)Dphenylalaninate
MFCD01082136
ZINC000001758814
ZINC1758814

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Available files

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