Vitas-M small molecule compound

4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(1H-pyrazol-1-yl)butan-1-one

Catalog ID
STK779589
SMILES [O-][N+](=O)c1c(C)nn(c1C)CCCC(=O)n1cccn1

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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 C12H15N5O3 MW 277.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N5O3/c1-9-12(17(19)20)10(2)15(14-9)7-3-5-11(18)16-8-4-6-13-16/h4,6,8H,3,5,7H2,1-2H3
InChIKey
RUNBOULQGRJFNO-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1c(C)nn(c1C)CCCC(=O)n1cccn1
4(35dimethyl4nitro1Hpyrazol1yl)1(1Hpyrazol1yl)butan1one
4(35DIMETHYL4NITROPYRAZOL1YL)1PYRAZOL1YLBUTAN1ONE
4(35DIMETHYL4NITROPYRAZOLYL)1PYRAZOLYLBUTAN1ONE
CC1=C(C(=NN1CCCC(=O)N2C=CC=N2)C)(N+)(=O)(O)
InChI=1SC12H15N5O3c1912(17(19)20)10(2)15(149)73511(18)168461316h468H357H212H3
MFCD05858719
ZINC000001429865
ZINC01429865
ZINC1429865

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Available files

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