Vitas-M small molecule compound
(2E)-2-(2-nitrobenzylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
Catalog ID
STK968666
SMILES O=C1/C(=C\c2ccccc2[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/c19-15-12(16-14-8-2-1-5-9-17(14)15)10-11-6-3-4-7-13(11)18(20)21/h3-4,6-7,10H,1-2,5,8-9H2/b12-10+InChIKey
ALHMKCSDJCKWFG-ZRDIBKRKSA-NSynonyms
(2E)2((2nitrophenyl)methylidene)6789tetrahydro5Himidazo(12a)azepin3one
(2E)2(2nitrobenzylidene)256789hexahydro3Himidazo(12a)azepin3one
C1CCC2=NC(=CC3=CC=CC=C3(N+)(=O)(O))C(=O)N2CC1
InChI=1SC15H15N3O3c191512(16148215917(14)15)1011634713(11)18(20)21h346710H12589H2b1210+
MFCD02251857
O=C1C(=Cc2ccccc2(N+)(=O)(O))N=C2N1CCCCC2
ZINC000001409693
ZINC01409693
ZINC1409693
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