Vitas-M small molecule compound

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

Catalog ID
STK005246
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)C1=C(O2)CC(CC1=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 C24H26O5 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26O5/c1-23(2)8-14(25)21-18(10-23)29-19-11-24(3,4)9-15(26)22(19)20(21)13-5-6-16-17(7-13)28-12-27-16/h5-7,20H,8-12H2,1-4H3
InChIKey
SOXANMKWPPVZQF-UHFFFAOYSA-N
Synonyms
30038-66-5
30038665
9(13benzodioxol5yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(13benzodioxol5yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
9(benzo(d)(13)dioxol5yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC24H26O5c123(2)814(25)2118(1023)29191124(34)915(26)22(19)20(21)13561617(713)28122716h5720H812H214H3
MFCD00478048
O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)C1=C(O2)CC(CC1=O)(C)C
STK005246
ZINC000000868865
ZINC00868865
ZINC868865

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Available files

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