Vitas-M small molecule compound

3-(1,3-benzothiazol-3-ium-2-yl)-7-hydroxy-8-methyl-4-oxo-4H-chromene-2-carboxylate

Catalog ID
STL514036
SMILES [O-]C(=O)c1oc2c(C)c(O)ccc2c(=O)c1c1sc2c([nH+]1)cccc2

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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 C18H11NO5S MW 353.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11NO5S/c1-8-11(20)7-6-9-14(21)13(16(18(22)23)24-15(8)9)17-19-10-4-2-3-5-12(10)25-17/h2-7,20H,1H3,(H,22,23)
InChIKey
ZHQHAIICYXQHPS-UHFFFAOYSA-N
Synonyms
384364-63-0
3(13benzothiazol3ium2yl)7hydroxy8methyl4oxo4Hchromene2carboxylate
384364630
5522932
MFCD03146758
ZINC000001321454

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Available files

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