Vitas-M small molecule compound

1-(2,3-dihydro-1H-indol-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethanone

Catalog ID
STK779108
SMILES O=C(N1CCc2c1cccc2)Cn1nc(cc1C)[N+](=O)[O-]

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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 C14H14N4O3 MW 286.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O3/c1-10-8-13(18(20)21)15-17(10)9-14(19)16-7-6-11-4-2-3-5-12(11)16/h2-5,8H,6-7,9H2,1H3
InChIKey
ZMCIINBFJKASTA-UHFFFAOYSA-N
Synonyms

1(23dihydro1Hindol1yl)2(5methyl3nitro1Hpyrazol1yl)ethanone
1(23DIHYDROINDOL1YL)2(5METHYL3NITROPYRAZOL1YL)ETHANONE
1INDOLINYL2(5METHYL3NITROPYRAZOLYL)ETHAN1ONE
CC1=CC(=NN1CC(=O)N2CCC3=CC=CC=C32)(N+)(=O)(O)
InChI=1SC14H14N4O3c110813(18(20)21)1517(10)914(19)167611423512(11)16h258H679H21H3
MFCD05858021
O=C(N1CCc2c1cccc2)Cn1nc(cc1C)(N+)(=O)(O)
ZINC000001428841
ZINC01428841
ZINC1428841

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.