Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-8-{[bis(2-hydroxyethyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate

Catalog ID
STL514274
SMILES OCC[NH+](Cc1c([O-])ccc2c1oc(=O)c(c2)c1nc2c(s1)cccc2)CCO

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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c24-9-7-23(8-10-25)12-15-17(26)6-5-13-11-14(21(27)28-19(13)15)20-22-16-3-1-2-4-18(16)29-20/h1-6,11,24-26H,7-10,12H2
InChIKey
JPUPOZFSPRTBRC-UHFFFAOYSA-N
Synonyms
384361-09-5
3(13benzothiazol2yl)8((bis(2hydroxyethyl)ammonio)methyl)2oxo2Hchromen7olate
384361095
4649967
MFCD03265924
ZINC000001155598

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Available files

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