Vitas-M small molecule compound
(2Z)-2-(4-nitrobenzylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
Catalog ID
STK968665
SMILES O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/N=C2N1CCCCC2
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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 C15H15N3O3 MW 285.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O3/c19-15-13(16-14-4-2-1-3-9-17(14)15)10-11-5-7-12(8-6-11)18(20)21/h5-8,10H,1-4,9H2/b13-10-InChIKey
DWUGNSMYDVZHMR-RAXLEYEMSA-NSynonyms
(2Z)2((4NITROPHENYL)METHYLIDENE)2H3H5H6H7H8H9HIMIDAZO(12A)AZEPIN3ONE
(2Z)2((4nitrophenyl)methylidene)6789tetrahydro5Himidazo(12a)azepin3one
(2Z)2(4nitrobenzylidene)256789hexahydro3Himidazo(12a)azepin3one
C1CCC2=NC(=CC3=CC=C(C=C3)(N+)(=O)(O))C(=O)N2CC1
InChI=1SC15H15N3O3c191513(16144213917(14)15)10115712(8611)18(20)21h5810H149H2b1310
MFCD02251855
O=C1C(=Cc2ccc(cc2)(N+)(=O)(O))N=C2N1CCCCC2
ZINC000001408918
ZINC01408918
ZINC1408918
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