Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK646370
SMILES CCC1CCCC[NH+]1Cc1c([O-])c(CC)cc2c1occ(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 C26H28N2O3S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3S/c1-3-16-13-18-24(30)20(26-27-21-10-5-6-11-22(21)32-26)15-31-25(18)19(23(16)29)14-28-12-8-7-9-17(28)4-2/h5-6,10-11,13,15,17,29H,3-4,7-9,12,14H2,1-2H3InChIKey
VCRHLVZKHTUHEI-UHFFFAOYSA-NSynonyms
637747-31-03(13BENZOTHIAZOL2YL)6ETHYL8((2ETHYLPIPERIDIN1YL)METHYL)7HYDROXYCHROMEN4ONE
3(13benzothiazol2yl)6ethyl8((2ethylpiperidinium1yl)methyl)4oxo4Hchromen7olate
3BENZOTHIAZOL2YL6ETHYL8((2ETHYLPIPERIDYL)METHYL)7HYDROXYCHROMEN4ONE
CCC1CCCC(NH+)1Cc1c((O))c(CC)cc2c1occ(c2=O)c1nc2c(s1)cccc2
MFCD03669927
ZINC000002201168
ZINC000002201171
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