Vitas-M small molecule compound
(2E)-2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK182715
SMILES N#C/C(=C\c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)NCC1CCCO1
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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 C22H20N4O8 MW 468.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O8/c1-32-21-10-14(9-15(12-23)22(27)24-13-17-3-2-8-33-17)4-6-20(21)34-19-7-5-16(25(28)29)11-18(19)26(30)31/h4-7,9-11,17H,2-3,8,13H2,1H3,(H,24,27)/b15-9+InChIKey
NXKGPYMSAUWFCJ-OQLLNIDSSA-NSynonyms
676604-60-7(2E)2CYANO3(4(24DINITROPHENOXY)3METHOXYPHENYL)N(TETRAHYDROFURAN2YLMETHYL)PROP2ENAMIDE
(E)2CYANO3(4(24DINITROPHENOXY)3METHOXYPHENYL)N(OXOLAN2YLMETHYL)PROP2ENAMIDE
676604607
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H20N4O8c132211014(915(1223)22(27)2413173283317)4620(21)34197516(25(28)29)1118(19)26(30)31h4791117H23813H21H3(H2427)b159+
MFCD03181784
N#CC(=Cc1ccc(c(c1)OC)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=O)NCC1CCCO1
ZINC000008721938
ZINC000008721939
Check stock
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Check stock on Vitas-MAvailable files
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