Vitas-M small molecule compound
9-[3-(hydroxymethyl)-4-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK723041
SMILES COc1ccc(cc1CO)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 C25H30O5 MW 410.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O5/c1-24(2)9-16(27)22-19(11-24)30-20-12-25(3,4)10-17(28)23(20)21(22)14-6-7-18(29-5)15(8-14)13-26/h6-8,21,26H,9-13H2,1-5H3InChIKey
WUXMGDSISAMEKX-UHFFFAOYSA-NSynonyms
9(3(hydroxymethyl)4methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3(hydroxymethyl)4methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CO)C(=O)C1)C
InChI=1SC25H30O5c124(2)916(27)2219(1124)30201225(34)1017(28)23(20)21(22)146718(295)15(814)1326h682126H913H215H3
MFCD00698897
ZINC000002298710
ZINC02298710
ZINC2298710
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