Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK317437
SMILES COc1nn(cc1[N+](=O)[O-])C(C(=O)N1N=C(CC1(O)C(F)(F)F)C)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 C12H14F3N5O5 MW 365.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F3N5O5/c1-6-4-11(22,12(13,14)15)19(16-6)10(21)7(2)18-5-8(20(23)24)9(17-18)25-3/h5,7,22H,4H2,1-3H3InChIKey
MHLDSXWEAMJATC-UHFFFAOYSA-NSynonyms
494217-02-61(2(4NITRO3METHOXY1HPYRAZOL1YL)PROPANOYL)3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
1(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2(3methoxy4nitro1Hpyrazol1yl)propan1one
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(3METHOXY4NITROPYRAZOL1YL)PROPAN1ONE
494217026
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(C)N2C=C(C(=N2)OC)(N+)(=O)(O)
COc1nn(cc1(N+)(=O)(O))C(C(=O)N1N=C(CC1(O)C(F)(F)F)C)C
InChI=1SC12H14F3N5O5c16411(2212(1314)15)19(166)10(21)7(2)1858(20(23)24)9(1718)253h5722H4H213H3
MFCD02175864
ZINC000005950533
ZINC000005950544
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Check stock on Vitas-MAvailable files
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