Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STL149448
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCC(CC1)C)occ(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 C25H26N2O3S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3S/c1-3-16-12-17-23(29)19(25-26-20-6-4-5-7-21(20)31-25)14-30-24(17)18(22(16)28)13-27-10-8-15(2)9-11-27/h4-7,12,14-15,28H,3,8-11,13H2,1-2H3
InChIKey
RWDGAMWASPIMGS-UHFFFAOYSA-N
Synonyms
637747-17-2
3(13benzothiazol2yl)6ethyl8((4methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CCc1cc2c(c(c1(O))C(NH+)1CCC(CC1)C)occ(c2=O)c1nc2c(s1)cccc2

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Available files

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