Vitas-M small molecule compound

3,3-dimethyl-7-[2-(morpholin-4-yl)-5-nitrophenyl]-2,4,8-trioxabicyclo[4.2.0]oct-1(6)-en-5-one

Catalog ID
STK768260
SMILES O=C1OC(C)(C)OC2=C1C(O2)c1cc(ccc1N1CCOCC1)[N+](=O)[O-]

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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 C17H18N2O7 MW 362.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O7/c1-17(2)25-15(20)13-14(24-16(13)26-17)11-9-10(19(21)22)3-4-12(11)18-5-7-23-8-6-18/h3-4,9,14H,5-8H2,1-2H3
InChIKey
PMEGKRFOHMXKDT-UHFFFAOYSA-N
Synonyms

22DIMETHYL5(2MORPHOLIN4YL5NITROPHENYL)5HOXETENO(34E)13DIOXIN4ONE
33dimethyl7(2(morpholin4yl)5nitrophenyl)248trioxabicyclo(420)oct1(6)en5one
33DIMETHYL7(2MORPHOLIN4YL5NITROPHENYL)248TRIOXABICYCLO(420)OCT1(6)EN5ONE
44DIMETHYL8(2MORPHOLIN4YL5NITROPHENYL)357TRIOXABICYCLO(420)OCT1(6)EN2ONE
CC1(OC2=C(C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCOCC4)C(=O)O1)C
InChI=1SC17H18N2O7c117(2)2515(20)1314(2416(13)2617)11910(19(21)22)3412(11)1857238618h34914H58H212H3
MFCD03133965
O=C1OC(C)(C)OC2=C1C(O2)c1cc(ccc1N1CCOCC1)(N+)(=O)(O)
ZINC000004185814
ZINC000004185816

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Available files

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