Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STL528470
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(C)c(c2=O)c1nc2c(s1)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 C24H24N2O3S MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O3S/c1-14-6-5-11-26(12-14)13-17-19(27)10-9-16-22(28)21(15(2)29-23(16)17)24-25-18-7-3-4-8-20(18)30-24/h3-4,7-10,14,27H,5-6,11-13H2,1-2H3
InChIKey
CXOCDNMWNQVADN-UHFFFAOYSA-N
Synonyms
308297-83-8
3(13benzothiazol2yl)2methyl8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
308297838
3911941
MFCD02167173
ZINC000002667140
ZINC000002667142

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Available files

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