Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK572666
SMILES CCC1CCCC[NH+]1Cc1c([O-])ccc2c1occ(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/c1-2-15-7-5-6-12-26(15)13-17-20(27)11-10-16-22(28)18(14-29-23(16)17)24-25-19-8-3-4-9-21(19)30-24/h3-4,8-11,14-15,27H,2,5-7,12-13H2,1H3InChIKey
BJYPTCSTEWHGCQ-UHFFFAOYSA-NSynonyms
637747-56-93(13benzothiazol2yl)8((2ethylpiperidin1ium1yl)methyl)4oxochromen7olate
3(13benzothiazol2yl)8((2ethylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CCC1CCCC(NH+)1Cc1c((O))ccc2c1occ(c2=O)c1nc2c(s1)cccc2
CCC1CCCC(NH+)1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)(O)
InChI=1SC24H24N2O3Sc12157561226(15)131720(27)11101622(28)18(142923(16)17)242519834921(19)3024h34811141527H2571213H21H3
MFCD03688273
ZINC000019898682
ZINC000019898683
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