Vitas-M small molecule compound
1-(3,4-dihydroquinolin-1(2H)-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK785336
SMILES O=C(N1CCCc2c1cccc2)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)12-6-10-17(23)20-11-5-8-15-7-3-4-9-16(15)20/h3-4,7,9H,5-6,8,10-12H2,1-2H3InChIKey
HKKCOMHFYDBTDB-UHFFFAOYSA-NSynonyms
1(34DIHYDRO2HQUINOLIN1YL)4(35DIMETHYL4NITROPYRAZOL1YL)BUTAN1ONE
1(34dihydroquinolin1(2H)yl)4(35dimethyl4nitro1Hpyrazol1yl)butan1one
CC1=C(C(=NN1CCCC(=O)N2CCCC3=CC=CC=C32)C)(N+)(=O)(O)
InChI=1SC18H22N4O3c11318(22(24)25)14(2)21(1913)1261017(23)20115815734916(15)20h3479H5681012H212H3
MFCD05031682
O=C(N1CCCc2c1cccc2)CCCn1nc(c(c1C)(N+)(=O)(O))C
ZINC000000215111
ZINC00215111
ZINC215111
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