Vitas-M small molecule compound
[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]acetic acid
Catalog ID
STL375082
SMILES COc1cc(cc(c1OCC(=O)O)Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C22H21BrO7 MW 477.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrO7/c1-28-17-9-11(8-12(23)22(17)29-10-18(26)27)19-20-13(24)4-2-6-15(20)30-16-7-3-5-14(25)21(16)19/h8-9,19H,2-7,10H2,1H3,(H,26,27)InChIKey
QISSGVLDUYTUOO-UHFFFAOYSA-NSynonyms
(2bromo4(18dioxo23456789octahydro1Hxanthen9yl)6methoxyphenoxy)aceticacid
2(2bromo4(18dioxo345679hexahydro2Hxanthen9yl)6methoxyphenoxy)aceticacid
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)OCC(=O)O
InChI=1SC22H21BrO7c12817911(812(23)22(17)291018(26)27)192013(24)42615(20)301673514(25)21(16)19h8919H2710H21H3(H2627)
MFCD05625207
ZINC000002486828
ZINC2486828
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