Vitas-M small molecule compound
5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one
Catalog ID
STK897876
SMILES O=C1C=C(Nc2cccc(c2)[N+](=O)[O-])CC(C1)(C)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 C14H16N2O3 MW 260.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3/c1-14(2)8-11(7-13(17)9-14)15-10-4-3-5-12(6-10)16(18)19/h3-7,15H,8-9H2,1-2H3InChIKey
AWQCYWVLVFABER-UHFFFAOYSA-NSynonyms
61997-86-255dimethyl3((3nitrophenyl)amino)cyclohex2en1one
55DIMETHYL3(3NITROANILINO)CYCLOHEX2EN1ONE
61997862
CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)(N+)(=O)(O))C
InChI=1SC14H16N2O3c114(2)811(713(17)914)151043512(610)16(18)19h3715H89H212H3
MFCD00129242
O=C1C=C(Nc2cccc(c2)(N+)(=O)(O))CC(C1)(C)C
ZINC000004773854
ZINC04773854
ZINC4773854
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