Vitas-M small molecule compound

8-[(dimethylammonio)methyl]-3-[4-(methoxycarbonyl)phenoxy]-2-methyl-4-oxo-4H-chromen-7-olate

Catalog ID
STK607542
SMILES COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+](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 C21H21NO6 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO6/c1-12-19(28-14-7-5-13(6-8-14)21(25)26-4)18(24)15-9-10-17(23)16(11-22(2)3)20(15)27-12/h5-10,23H,11H2,1-4H3
InChIKey
HXMHDPXEDYFYHP-UHFFFAOYSA-N
Synonyms
847177-62-2
8((dimethylammonio)methyl)3(4(methoxycarbonyl)phenoxy)2methyl4oxo4Hchromen7olate
COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C(NH+)(C)C)(O)
METHYL4(8((DIMETHYLAMINO)METHYL)7HYDROXY2METHYL4OXOCHROMEN3YLOXY)BENZOATE
METHYL4(8(DIMETHYLAMINOMETHYL)7HYDROXY2METHYL4OXOCHROMEN3YL)OXYBENZOATE
Registry IDs
MFCD04183819
ZINC000020573462
ZINC20573462

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Available files

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