Vitas-M small molecule compound
3-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Catalog ID
STL070083
SMILES COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)C=C1C(=O)OC2(OC1=O)CCCCC2
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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/c1-27-13-5-7-15(17(12-13)22(25)26)18-8-6-14(28-18)11-16-19(23)29-21(30-20(16)24)9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3InChIKey
JYNDTDODQBGEGX-UHFFFAOYSA-NSynonyms
443668-17-53((5(4methoxy2nitrophenyl)furan2yl)methylene)15dioxaspiro(55)undecane24dione
3((5(4methoxy2nitrophenyl)furan2yl)methylidene)15dioxaspiro(55)undecane24dione
443668175
9((5(4METHOXY2NITROPHENYL)FURAN2YL)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
COC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC4(CCCCC4)OC3=O)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=C1C(=O)OC2(OC1=O)CCCCC2
InChI=1SC21H19NO8c127135715(17(1213)22(25)26)188614(2818)111619(23)2921(3020(16)24)93241021h581112H24910H21H3
MFCD01970495
ZINC000005518101
ZINC05518101
ZINC5518101
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