Vitas-M small molecule compound

methyl 3-(4-cyanophenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

Catalog ID
STL541576
SMILES COC(=O)CC(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)c1ccc(cc1)C#N

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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 C26H19NO7 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19NO7/c1-33-20(29)11-17(15-9-7-14(13-27)8-10-15)21-23(30)25(32)24(31)22-18(28)12-19(34-26(21)22)16-5-3-2-4-6-16/h2-10,12,17,30-32H,11H2,1H3
InChIKey
UHKWZBTUHKEELJ-UHFFFAOYSA-N
Synonyms
1574378-31-6
1574378316
75492320
InChI=1SC26H19NO7c13320(29)1117(159714(1327)81015)2123(30)25(32)24(31)2218(28)1219(3426(21)22)165324616h21012173032H11H21H3
methyl3(4cyanophenyl)3(567trihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(4cyanophenyl)3(567trihydroxy4oxo2phenylchromen8yl)propanoate
MFCD28052630
ZINC000096222571
ZINC000096222573

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Available files

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