Vitas-M small molecule compound

4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxo-3-{[2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ammonio}butanoate

Catalog ID
STL528266
SMILES COC(=O)c1ccccc1NC(=O)C([NH2+]C1CCOC(C1)C(C)C)CC(=O)[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 C20H28N2O6 MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O6/c1-12(2)17-10-13(8-9-28-17)21-16(11-18(23)24)19(25)22-15-7-5-4-6-14(15)20(26)27-3/h4-7,12-13,16-17,21H,8-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKey
DUUDWMCVSQHQFB-UHFFFAOYSA-N
Synonyms
1030609-94-9
1030609949
3429605
4((2(methoxycarbonyl)phenyl)amino)4oxo3((2(propan2yl)tetrahydro2Hpyran4yl)ammonio)butanoate
MFCD03612504
ZINC000004043933

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Available files

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