Vitas-M small molecule compound

3,3,6,6-tetramethyl-9-(3-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK333581
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1sccc1C

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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 C22H26O3S MW 370.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26O3S/c1-12-6-7-26-20(12)19-17-13(23)8-21(2,3)10-15(17)25-16-11-22(4,5)9-14(24)18(16)19/h6-7,19H,8-11H2,1-5H3
InChIKey
FPTXUWPTGSRMDQ-UHFFFAOYSA-N
Synonyms
361182-80-1
3366tetramethyl9(3methylthiophen2yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(3methylthiophen2yl)4579tetrahydro2Hxanthene18dione
361182801
CC1=C(SC=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C
InChI=1SC22H26O3Sc112672620(12)191713(23)821(23)1015(17)25161122(45)914(24)18(16)19h6719H811H215H3
MFCD02623540
ZINC000000891942
ZINC00891942
ZINC891942

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.