Vitas-M small molecule compound
9-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK374579
SMILES C#CCOc1c(I)cc(cc1OC)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 C27H29IO5 MW 560.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29IO5/c1-7-8-32-25-16(28)9-15(10-19(25)31-6)22-23-17(29)11-26(2,3)13-20(23)33-21-14-27(4,5)12-18(30)24(21)22/h1,9-10,22H,8,11-14H2,2-6H3InChIKey
QWAPCIDSQXUMQY-UHFFFAOYSA-NSynonyms
9(3iodo5methoxy4(prop2yn1yloxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3iodo5methoxy4prop2ynoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)I)OCC#C)OC)C(=O)C1)C
InChI=1SC27H29IO5c178322516(28)915(1019(25)316)222317(29)1126(23)1320(23)33211427(45)1218(30)24(21)22h191022H81114H226H3
MFCD01065877
ZINC000002906617
ZINC2906617
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