Vitas-M small molecule compound
[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid
Catalog ID
STK036592
SMILES OC(=O)COc1ccc(cc1)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 C21H20O6 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O6/c22-14-3-1-5-16-20(14)19(21-15(23)4-2-6-17(21)27-16)12-7-9-13(10-8-12)26-11-18(24)25/h7-10,19H,1-6,11H2,(H,24,25)InChIKey
BQIFEZVMMQAYNX-UHFFFAOYSA-NSynonyms
(4(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)aceticacid
2(4(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)aceticacid
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OCC(=O)O)C(=O)C1
InChI=1SC21H20O6c22143151620(14)19(2115(23)42617(21)2716)127913(10812)261118(24)25h71019H1611H2(H2425)
MFCD04126499
OC(=O)COc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
STK036592
ZINC000002486823
ZINC2486823
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