Vitas-M small molecule compound

1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanone

Catalog ID
STL402450
SMILES O=C(N1CCc2c(C1)cccc2)Cn1nc(c(c1C)[N+](=O)[O-])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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c1-11-16(20(22)23)12(2)19(17-11)10-15(21)18-8-7-13-5-3-4-6-14(13)9-18/h3-6H,7-10H2,1-2H3
InChIKey
OYTZRLUOXFFKPF-UHFFFAOYSA-N
Synonyms
355805-33-3
1(34DIHYDRO1HISOQUINOLIN2YL)2(35DIMETHYL4NITRO1PYRAZOLYL)ETHANONE
1(34DIHYDRO1HISOQUINOLIN2YL)2(35DIMETHYL4NITROPYRAZOL1YL)ETHANONE
1(34dihydroisoquinolin2(1H)yl)2(35dimethyl4nitro1Hpyrazol1yl)ethanone
355805333
CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)(N+)(=O)(O)
InChI=1SC16H18N4O3c11116(20(22)23)12(2)19(1711)1015(21)188713534614(13)918h36H710H212H3
MFCD01243943
O=C(N1CCc2c(C1)cccc2)Cn1nc(c(c1C)(N+)(=O)(O))C
ZINC000002729515
ZINC02729515
ZINC2729515

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Available files

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