Vitas-M small molecule compound
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(morpholin-4-yl)butan-1-one
Catalog ID
STK689592
SMILES O=C(N1CCOCC1)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 C13H20N4O4 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N4O4/c1-10-13(17(19)20)11(2)16(14-10)5-3-4-12(18)15-6-8-21-9-7-15/h3-9H2,1-2H3InChIKey
UJYIEZHZDWDKRX-UHFFFAOYSA-NSynonyms
4(35dimethyl4nitro1Hpyrazol1yl)1(morpholin4yl)butan1one
4(35dimethyl4nitropyrazol1yl)1morpholin4ylbutan1one
CC1=C(C(=NN1CCCC(=O)N2CCOCC2)C)(N+)(=O)(O)
InChI=1SC13H20N4O4c11013(17(19)20)11(2)16(1410)53412(18)1568219715h39H212H3
MFCD08532326
O=C(N1CCOCC1)CCCn1nc(c(c1C)(N+)(=O)(O))C
ZINC000012372175
ZINC12372175
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