Vitas-M small molecule compound
(2E)-2-cyano-N-(4-methylphenyl)-3-[3-nitro-4-(piperidin-1-yl)phenyl]prop-2-enamide
Catalog ID
STL367598
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)/C(=O)Nc1ccc(cc1)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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-16-5-8-19(9-6-16)24-22(27)18(15-23)13-17-7-10-20(21(14-17)26(28)29)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,27)/b18-13+InChIKey
WNYRRCBOBCJZSV-QGOAFFKASA-NSynonyms
(2E)2cyanoN(4methylphenyl)3(3nitro4(piperidin1yl)phenyl)prop2enamide
(E)2cyanoN(4methylphenyl)3(3nitro4piperidin1ylphenyl)prop2enamide
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCCC3)(N+)(=O)(O))C#N
InChI=1SC22H22N4O3c1165819(9616)2422(27)18(1523)131771020(21(1417)26(28)29)25113241225h5101314H241112H21H3(H2427)b1813+
MFCD28951863
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)C(=O)Nc1ccc(cc1)C
ZINC000098086336
ZINC98086336
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