Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK779587
SMILES O=C(N1CCc2c(C1)cccc2)CCCn1nc(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 C18H22N4O3 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3/c1-13-18(22(24)25)14(2)21(19-13)10-5-8-17(23)20-11-9-15-6-3-4-7-16(15)12-20/h3-4,6-7H,5,8-12H2,1-2H3InChIKey
JHKSOPOSYQNASY-UHFFFAOYSA-NSynonyms
1(34DIHYDRO1HISOQUINOLIN2YL)4(35DIMETHYL4NITROPYRAZOL1YL)BUTAN1ONE
1(34dihydroisoquinolin2(1H)yl)4(35dimethyl4nitro1Hpyrazol1yl)butan1one
CC1=C(C(=NN1CCCC(=O)N2CCC3=CC=CC=C3C2)C)(N+)(=O)(O)
InChI=1SC18H22N4O3c11318(22(24)25)14(2)21(1913)105817(23)2011915634716(15)1220h3467H5812H212H3
MFCD05858717
O=C(N1CCc2c(C1)cccc2)CCCn1nc(c(c1C)(N+)(=O)(O))C
ZINC000001429863
ZINC01429863
ZINC1429863
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