Vitas-M small molecule compound
9-(2-bromo-4,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198858
SMILES COc1cc(Br)c(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 C25H29BrO5 MW 489.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrO5/c1-24(2)9-15(27)22-19(11-24)31-20-12-25(3,4)10-16(28)23(20)21(22)13-7-17(29-5)18(30-6)8-14(13)26/h7-8,21H,9-12H2,1-6H3InChIKey
HROASXGMVJPDCZ-UHFFFAOYSA-NSynonyms
9(2bromo45dimethoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(2bromo45dimethoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4Br)OC)OC)C(=O)C1)C
InChI=1SC25H29BrO5c124(2)915(27)2219(1124)31201225(34)1016(28)23(20)21(22)13717(295)18(306)814(13)26h7821H912H216H3
MFCD02219148
ZINC000001198405
ZINC01198405
ZINC1198405
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