Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-4-one

Catalog ID
STK887933
SMILES Oc1ccc2c(c1CN1CC3(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,11-15H2,1-4H3
InChIKey
KQYBKHPFDHPYKD-UHFFFAOYSA-N
Synonyms

3(13BENZOTHIAZOL2YL)2METHYL4OXO8((335TRIMETHYL7AZONIABICYCLO(321)OCTAN7YL)METHYL)CHROMEN7OLATE
3(13benzothiazol2yl)7hydroxy2methyl8((133trimethyl6azabicyclo(321)oct6yl)methyl)4Hchromen4one
3(13BENZOTHIAZOL2YL)7HYDROXY2METHYL8((133TRIMETHYL6AZABICYCLO(321)OCTAN6YL)METHYL)4HCHROMEN4ONE
3(13BENZOTHIAZOL2YL)7HYDROXY2METHYL8((335TRIMETHYL7AZABICYCLO(321)OCTAN7YL)METHYL)CHROMEN4ONE
3(benzo(d)thiazol2yl)7hydroxy2methyl8(((1R5S)133trimethyl6azabicyclo(321)octan6yl)methyl)4Hchromen4one
3BENZOTHIAZOL2YL7HYDROXY2METHYL8((133TRIMETHYL6AZABICYCLO(321)OCT6YL)METHYL)CHROMEN4ONE
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)(O))C(NH+)3CC4(CC3CC(C4)(C)C)C)C5=NC6=CC=CC=C6S5
InChI=1SC28H30N2O3Sc11623(262920756822(20)3426)24(32)1891021(31)19(25(18)3316)13301528(4)1217(30)1127(23)1428h5101731H1115H214H3
Oc1ccc2c(c1CN1C(C@)3(C(C@@H)1CC(C3)(C)C)C)oc(c(c2=O)c1nc2c(s1)cccc2)C

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Available files

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