Vitas-M small molecule compound
propan-2-yl {[(2Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Catalog ID
STK852233
SMILES CC(OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=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 C20H17NO7 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO7/c1-12(2)27-19(22)11-26-15-7-8-16-17(10-15)28-18(20(16)23)9-13-3-5-14(6-4-13)21(24)25/h3-10,12H,11H2,1-2H3/b18-9-InChIKey
SNLOUGUBCKENTD-NVMNQCDNSA-NSynonyms
622806-08-0(Z)isopropyl2((2(4nitrobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
622806080
CC(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))O2
CC(OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O)C
InChI=1SC20H17NO7c112(2)2719(22)112615781617(1015)2818(20(16)23)9133514(6413)21(24)25h31012H11H212H3b189
METHYLETHYL2(2((4NITROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
MFCD04158674
propan2yl(((2Z)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
PROPAN2YL2(((2Z)2((4NITROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
ZINC000005150561
ZINC05150561
ZINC5150561
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