Vitas-M small molecule compound
9-(2-bromo-5-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK760146
SMILES CCOc1cc(c(cc1O)Br)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/c1-6-30-18-7-13(14(26)8-15(18)27)21-22-16(28)9-24(2,3)11-19(22)31-20-12-25(4,5)10-17(29)23(20)21/h7-8,21,27H,6,9-12H2,1-5H3InChIKey
MTIDBQMTJLLVER-UHFFFAOYSA-NSynonyms
9(2bromo5ethoxy4hydroxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(2bromo5ethoxy4hydroxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CCOC1=C(C=C(C(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Br)O
InChI=1SC25H29BrO5c163018713(14(26)815(18)27)212216(28)924(23)1119(22)31201225(45)1017(29)23(20)21h782127H6912H215H3
MFCD01036078
ZINC000000714185
ZINC00714185
ZINC714185
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