Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-7-olate
Catalog ID
STL528550
SMILES [O-]c1ccc2c(c1C[NH+]1CC3(CC1CC(C3)(C)C)C)oc(c(c2=O)c1nc2c(s1)cccc2)C
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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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-16-23(26-29-20-7-5-6-8-22(20)34-26)24(32)18-9-10-21(31)19(25(18)33-16)13-30-15-28(4)12-17(30)11-27(2,3)14-28/h5-10,17,31H,11-15H2,1-4H3InChIKey
KQYBKHPFDHPYKD-UHFFFAOYSA-NSynonyms
3(13benzothiazol2yl)2methyl4oxo8((133trimethyl6azoniabicyclo(321)oct6yl)methyl)4Hchromen7olate
3(13benzothiazol2yl)2methyl4oxo8((133trimethyl6azoniabicyclo(321)octan6yl)methyl)chromen7olate
5244666
MFCD02167163
ZINC000238901051
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