Vitas-M small molecule compound
(2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide
Catalog ID
STK185185
SMILES CC(NC(=O)/C(=C/c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])/C#N)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 C17H14ClN3O4 MW 359.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4/c1-10(2)20-17(22)11(9-19)7-13-4-6-16(25-13)14-8-12(21(23)24)3-5-15(14)18/h3-8,10H,1-2H3,(H,20,22)/b11-7+InChIKey
SDSSCPKLCMKECB-YRNVUSSQSA-NSynonyms
(2E)3(5(2CHLORO5NITROPHENYL)FURAN2YL)2CYANON(PROPAN2YL)PROP2ENAMIDE
(E)3(5(2CHLORO5NITROPHENYL)FURAN2YL)2CYANONPROPAN2YLPROP2ENAMIDE
CC(C)NC(=O)C(=CC1=CC=C(O1)C2=C(C=CC(=C2)(N+)(=O)(O))Cl)C#N
CC(NC(=O)C(=Cc1ccc(o1)c1cc(ccc1Cl)(N+)(=O)(O))C#N)C
InChI=1SC17H14ClN3O4c110(2)2017(22)11(919)7134616(2513)14812(21(23)24)3515(14)18h3810H12H3(H2022)b117+
MFCD03226512
ZINC000004723453
ZINC04723453
ZINC4723453
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