Vitas-M small molecule compound
3-[(4-fluoro-2-nitrophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK897897
SMILES O=C1C=C(Nc2ccc(cc2[N+](=O)[O-])F)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 C14H15FN2O3 MW 278.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15FN2O3/c1-14(2)7-10(6-11(18)8-14)16-12-4-3-9(15)5-13(12)17(19)20/h3-6,16H,7-8H2,1-2H3InChIKey
VVVDNTKCWUSDAS-UHFFFAOYSA-NSynonyms
330974-51-13((4fluoro2nitrophenyl)amino)55dimethylcyclohex2en1one
3(4fluoro2nitroanilino)55dimethylcyclohex2en1one
330974511
CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)F)(N+)(=O)(O))C
InChI=1SC14H15FN2O3c114(2)710(611(18)814)1612439(15)513(12)17(19)20h3616H78H212H3
MFCD00656354
O=C1C=C(Nc2ccc(cc2(N+)(=O)(O))F)CC(C1)(C)C
ZINC000005231347
ZINC05231347
ZINC5231347
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