Vitas-M small molecule compound
3,3'-[2-(4-nitrophenyl)propane-1,3-diyl]bis(4-hydroxy-6-methyl-2H-pyran-2-one)
Catalog ID
STK987637
SMILES Oc1cc(C)oc(=O)c1CC(c1ccc(cc1)[N+](=O)[O-])Cc1c(O)cc(oc1=O)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 C21H19NO8 MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO8/c1-11-7-18(23)16(20(25)29-11)9-14(13-3-5-15(6-4-13)22(27)28)10-17-19(24)8-12(2)30-21(17)26/h3-8,14,23-24H,9-10H2,1-2H3InChIKey
USWHLEAYOYEPFZ-UHFFFAOYSA-NSynonyms
33(2(4nitrophenyl)propane13diyl)bis(4hydroxy6methyl2Hpyran2one)
4HYDROXY3(3(4HYDROXY6METHYL2OXOPYRAN3YL)2(4NITROPHENYL)PROPYL)6METHYLPYRAN2ONE
CC1=CC(=C(C(=O)O1)CC(CC2=C(C=C(OC2=O)C)O)C3=CC=C(C=C3)(N+)(=O)(O))O
InChI=1SC21H19NO8c111718(23)16(20(25)2911)914(133515(6413)22(27)28)101719(24)812(2)3021(17)26h38142324H910H212H3
MFCD06650335
Oc1cc(C)oc(=O)c1CC(c1ccc(cc1)(N+)(=O)(O))Cc1c(O)cc(oc1=O)C
ZINC000016756408
ZINC16756408
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