Vitas-M small molecule compound
9-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL023782
SMILES COc1cc(ccc1OCc1ccccc1F)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)13-21(33)28-25(15-30)37-26-16-31(3,4)14-22(34)29(26)27(28)18-10-11-23(24(12-18)35-5)36-17-19-8-6-7-9-20(19)32/h6-12,27H,13-17H2,1-5H3InChIKey
OXGMMZMMYUEHRV-UHFFFAOYSA-NSynonyms
684238-27-5684238275
9(4((2fluorobenzyl)oxy)3methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((2fluorophenyl)methoxy)3methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=CC=C5F)OC)C(=O)C1)C
InChI=1SC31H33FO5c130(2)1321(33)2825(1530)37261631(34)1422(34)29(26)27(28)18101123(24(1218)355)361719867920(19)32h61227H1317H215H3
MFCD03670669
ZINC000002202410
ZINC02202410
ZINC2202410
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