Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-[2-(pentyloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL426957
SMILES CCCCCOc1ccccc1C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)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 C28H36O4 MW 436.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36O4/c1-6-7-10-13-31-21-12-9-8-11-18(21)24-25-19(29)14-27(2,3)16-22(25)32-23-17-28(4,5)15-20(30)26(23)24/h8-9,11-12,24H,6-7,10,13-17H2,1-5H3InChIKey
YRMZPQARRFYNIE-UHFFFAOYSA-NSynonyms
3366tetramethyl9(2(pentyloxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(2pentoxyphenyl)4579tetrahydro2Hxanthene18dione
CCCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C
InChI=1SC28H36O4c1671013312112981118(21)242519(29)1427(23)1622(25)32231728(45)1520(30)26(23)24h89111224H67101317H215H3
MFCD03861917
ZINC000002128275
ZINC02128275
ZINC2128275
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