Vitas-M small molecule compound
9-(3-ethoxy-4-propoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198853
SMILES CCCOc1ccc(cc1OCC)C1C2=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 C28H36O5 MW 452.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36O5/c1-7-11-32-20-10-9-17(12-21(20)31-8-2)24-25-18(29)13-27(3,4)15-22(25)33-23-16-28(5,6)14-19(30)26(23)24/h9-10,12,24H,7-8,11,13-16H2,1-6H3InChIKey
PJGGLAYWTRSNAU-UHFFFAOYSA-NSynonyms
9(3ethoxy4propoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4propoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OCC
InChI=1SC28H36O5c1711322010917(1221(20)3182)242518(29)1327(34)1522(25)33231628(56)1419(30)26(23)24h9101224H78111316H216H3
MFCD02219362
ZINC000002075918
ZINC02075918
ZINC2075918
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