Vitas-M small molecule compound

ethyl 4-({[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetyl}amino)benzoate

Catalog ID
STK631019
SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1cc(O)c2c(c1)OC(CC2=O)(C)C

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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 C22H23NO7 MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO7/c1-4-28-21(27)13-5-7-14(8-6-13)23-19(26)12-29-15-9-16(24)20-17(25)11-22(2,3)30-18(20)10-15/h5-10,24H,4,11-12H2,1-3H3,(H,23,26)
InChIKey
MIDDALAXHIAZBB-UHFFFAOYSA-N
Synonyms
1014412-73-7
1014412737
CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC(=C3C(=O)CC(OC3=C2)(C)C)O
ethyl4((((5hydroxy22dimethyl4oxo34dihydro2Hchromen7yl)oxy)acetyl)amino)benzoate
ethyl4((2((5hydroxy22dimethyl4oxo3Hchromen7yl)oxy)acetyl)amino)benzoate
ethyl4(2((5hydroxy22dimethyl4oxochroman7yl)oxy)acetamido)benzoate
InChI=1SC22H23NO7c142821(27)135714(8613)2319(26)122915916(24)2017(25)1122(23)3018(20)1015h51024H41112H213H3(H2326)
ZINC000009053545
ZINC09053545
ZINC9053545

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Available files

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