Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK618584
SMILES COc1cc(cc(c1OC)OC)C(=O)/C(=C/c1ccccc1[N+](=O)[O-])/c1nc2c(o1)cccc2
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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 C25H20N2O7 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7/c1-31-21-13-16(14-22(32-2)24(21)33-3)23(28)17(12-15-8-4-6-10-19(15)27(29)30)25-26-18-9-5-7-11-20(18)34-25/h4-14H,1-3H3/b17-12-InChIKey
MPWPCPNORHCEBP-ATVHPVEESA-NSynonyms
929968-99-0(2E)2(13benzoxazol2yl)3(2nitrophenyl)1(345trimethoxyphenyl)prop2en1one
(E)2(13benzoxazol2yl)3(2nitrophenyl)1(345trimethoxyphenyl)prop2en1one
(E)2(benzo(d)oxazol2yl)3(2nitrophenyl)1(345trimethoxyphenyl)prop2en1one
929968990
COC1=CC(=CC(=C1OC)OC)C(=O)C(=CC2=CC=CC=C2(N+)(=O)(O))C3=NC4=CC=CC=C4O3
COc1cc(cc(c1OC)OC)C(=O)C(=Cc1ccccc1(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC25H20N2O7c131211316(1422(322)24(21)333)23(28)17(12158461019(15)27(29)30)2526189571120(18)3425h414H13H3b1712
MFCD09795250
ZINC000009053230
ZINC09053230
ZINC9053230
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