Vitas-M small molecule compound

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

Catalog ID
STL303547
SMILES CCc1cc2c(c(c1O)CN1CC3(CC1CC(C3)(C)C)C)occ(c2=O)c1scc(n1)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 C26H32N2O3S MW 452.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O3S/c1-6-16-7-18-22(30)20(24-27-15(2)12-32-24)11-31-23(18)19(21(16)29)10-28-14-26(5)9-17(28)8-25(3,4)13-26/h7,11-12,17,29H,6,8-10,13-14H2,1-5H3
InChIKey
MSVQRQDUIPRIMZ-UHFFFAOYSA-N
Synonyms

6ethyl7hydroxy3(4methyl13thiazol2yl)8((133trimethyl6azabicyclo(321)oct6yl)methyl)4Hchromen4one
6ETHYL7HYDROXY3(4METHYL13THIAZOL2YL)8((335TRIMETHYL7AZABICYCLO(321)OCTAN7YL)METHYL)CHROMEN4ONE
6ethyl7hydroxy3(4methylthiazol2yl)8(((1S5R)133trimethyl6azabicyclo(321)octan6yl)methyl)4Hchromen4one
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)CN4CC5(CC4CC(C5)(C)C)C)O
CCc1cc2c(c(c1O)CN1C(C@@)3(C(C@H)1CC(C3)(C)C)C)occ(c2=O)c1scc(n1)C
InChI=1SC26H32N2O3Sc161671822(30)20(242715(2)123224)113123(18)19(21(16)29)10281426(5)917(28)825(34)1326h711121729H68101314H215H3
MFCD10041010
ZINC000238901802

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Available files

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