Vitas-M small molecule compound
9-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198876
SMILES CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])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 C28H27NO7 MW 489.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO7/c1-2-34-25-15-18(11-14-22(25)35-16-17-9-12-19(13-10-17)29(32)33)26-27-20(30)5-3-7-23(27)36-24-8-4-6-21(31)28(24)26/h9-15,26H,2-8,16H2,1H3InChIKey
RRGKERYMFZIVJT-UHFFFAOYSA-NSynonyms
9(3ethoxy4((4nitrobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4((4nitrophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC=C(C=C5)(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
InChI=1SC28H27NO7c1234251518(111422(25)35161791219(131017)29(32)33)262720(30)53723(27)362484621(31)28(24)26h91526H2816H21H3
MFCD03707794
ZINC000002998406
ZINC02998406
ZINC2998406
Check stock
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