Vitas-M small molecule compound

tert-butyl {[(2Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK856644
SMILES O=C(OC(C)(C)C)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=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 C21H19NO7 MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7/c1-21(2,3)29-19(23)12-27-15-8-9-16-17(11-15)28-18(20(16)24)10-13-4-6-14(7-5-13)22(25)26/h4-11H,12H2,1-3H3/b18-10-
InChIKey
HHSIAEXTDYGLPC-ZDLGFXPLSA-N
Synonyms
620548-05-2
(Z)tertbutyl2((2(4nitrobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620548052
CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))O2
InChI=1SC21H19NO7c121(23)2919(23)122715891617(1115)2818(20(16)24)10134614(7513)22(25)26h411H12H213H3b1810
MFCD04176594
O=C(OC(C)(C)C)COc1ccc2c(c1)OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O
tertbutyl(((2Z)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
TERTBUTYL2(((2Z)2((4NITROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
TERTBUTYL2(2((4NITROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000005854820
ZINC05854820
ZINC5854820

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.