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-ethoxyphenoxy]acetic acid
Catalog ID
STL375076
SMILES CCOc1cc(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 C23H23BrO7 MW 491.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrO7/c1-2-29-18-10-12(9-13(24)23(18)30-11-19(27)28)20-21-14(25)5-3-7-16(21)31-17-8-4-6-15(26)22(17)20/h9-10,20H,2-8,11H2,1H3,(H,27,28)InChIKey
LFIAZWYEJLQCRY-UHFFFAOYSA-NSynonyms
(2bromo4(18dioxo23456789octahydro1Hxanthen9yl)6ethoxyphenoxy)aceticacid
2(2bromo4(18dioxo345679hexahydro2Hxanthen9yl)6ethoxyphenoxy)aceticacid
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)OCC(=O)O
InChI=1SC23H23BrO7c1229181012(913(24)23(18)301119(27)28)202114(25)53716(21)311784615(26)22(17)20h91020H2811H21H3(H2728)
MFCD05625209
ZINC000002486831
ZINC2486831
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