Vitas-M small molecule compound
(2E)-2-cyano-3-{4-[(4-nitrobenzyl)oxy]phenyl}prop-2-enamide
Catalog ID
STL418754
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])/C(=O)N
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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 C17H13N3O4 MW 323.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4/c18-10-14(17(19)21)9-12-3-7-16(8-4-12)24-11-13-1-5-15(6-2-13)20(22)23/h1-9H,11H2,(H2,19,21)/b14-9+InChIKey
YNTGIYJDMXTYDU-NTEUORMPSA-NSynonyms
(2E)2cyano3(4((4nitrobenzyl)oxy)phenyl)prop2enamide
(2E)2CYANO3(4((4NITROPHENYL)METHOXY)PHENYL)PROP2ENAMIDE
(E)2CYANO3(4((4NITROPHENYL)METHOXY)PHENYL)PROP2ENAMIDE
C1=CC(=CC=C1COC2=CC=C(C=C2)C=C(C#N)C(=O)N)(N+)(=O)(O)
InChI=1SC17H13N3O4c181014(17(19)21)9123716(8412)2411131515(6213)20(22)23h19H11H2(H21921)b149+
MFCD03013537
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)(N+)(=O)(O))C(=O)N
ZINC000016401691
ZINC16401691
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