Vitas-M small molecule compound

3-(2-methoxy-2-oxoethyl)-4-methyl-8-{[(3-methylbutyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate

Catalog ID
STK621545
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]CCC(C)C)[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 C19H25NO5 MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO5/c1-11(2)7-8-20-10-15-16(21)6-5-13-12(3)14(9-17(22)24-4)19(23)25-18(13)15/h5-6,11,20-21H,7-10H2,1-4H3
InChIKey
BLOJEPTUNPUPRN-UHFFFAOYSA-N
Synonyms

COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C(NH2+)CCC(C)C)(O)
MFCD09847445
ZINC000013656004

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Available files

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