Vitas-M small molecule compound
9-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK836261
SMILES COc1ccc(cc1COc1ccc(cc1)F)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 C31H33FO5 MW 504.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33FO5/c1-30(2)13-22(33)28-25(15-30)37-26-16-31(3,4)14-23(34)29(26)27(28)18-6-11-24(35-5)19(12-18)17-36-21-9-7-20(32)8-10-21/h6-12,27H,13-17H2,1-5H3InChIKey
CUMNLLCOZWGJJP-UHFFFAOYSA-NSynonyms
381698-28-8381698288
9(3((4fluorophenoxy)methyl)4methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3((4fluorophenoxy)methyl)4methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC31H33FO5c130(2)1322(33)2825(1530)37261631(34)1423(34)29(26)27(28)1861124(355)19(1218)1736219720(32)81021h61227H1317H215H3
MFCD02173910
ZINC000000649798
ZINC00649798
ZINC649798
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