Vitas-M small molecule compound
1-(2,3-dihydro-1H-indol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK779588
SMILES O=C(N1CCc2c1cccc2)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 C17H20N4O3 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3/c1-12-17(21(23)24)13(2)20(18-12)10-5-8-16(22)19-11-9-14-6-3-4-7-15(14)19/h3-4,6-7H,5,8-11H2,1-2H3InChIKey
NBXCZYGOTYWRQY-UHFFFAOYSA-NSynonyms
1(23dihydro1Hindol1yl)4(35dimethyl4nitro1Hpyrazol1yl)butan1one
1(23DIHYDROINDOL1YL)4(35DIMETHYL4NITROPYRAZOL1YL)BUTAN1ONE
4(35DIMETHYL4NITROPYRAZOLYL)1INDOLINYLBUTAN1ONE
CC1=C(C(=NN1CCCC(=O)N2CCC3=CC=CC=C32)C)(N+)(=O)(O)
InChI=1SC17H20N4O3c11217(21(23)24)13(2)20(1812)105816(22)1911914634715(14)19h3467H5811H212H3
MFCD05858718
O=C(N1CCc2c1cccc2)CCCn1nc(c(c1C)(N+)(=O)(O))C
ZINC000001429864
ZINC01429864
ZINC1429864
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