Vitas-M small molecule compound

9-{3-[(4-fluorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK199533
SMILES Fc1ccc(cc1)COc1cccc(c1)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 C30H31FO4 MW 474.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31FO4/c1-29(2)13-22(32)27-24(15-29)35-25-16-30(3,4)14-23(33)28(25)26(27)19-6-5-7-21(12-19)34-17-18-8-10-20(31)11-9-18/h5-12,26H,13-17H2,1-4H3
InChIKey
GHVHQAAFOPKGLM-UHFFFAOYSA-N
Synonyms

9(3((4fluorobenzyl)oxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3((4fluorophenyl)methoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OCC5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC30H31FO4c129(2)1322(32)2724(1529)35251630(34)1423(33)28(25)26(27)1965721(1219)34171881020(31)11918h51226H1317H214H3
MFCD03708007
ZINC000001158041
ZINC01158041
ZINC1158041

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Available files

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