Vitas-M small molecule compound

1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butan-1-one

Catalog ID
STL396204
SMILES CCC(n1nc(cc1C)[N+](=O)[O-])C(=O)N1N=C(CC1(O)C(F)F)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 C13H17F2N5O4 MW 345.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17F2N5O4/c1-4-9(18-8(3)5-10(17-18)20(23)24)11(21)19-13(22,12(14)15)6-7(2)16-19/h5,9,12,22H,4,6H2,1-3H3
InChIKey
FWYPJWNJJMKTSJ-UHFFFAOYSA-N
Synonyms
1005634-16-1
1(5(DIFLUOROMETHYL)5HYDROXY3METHYL45DIHYDRO1HPYRAZOL1YL)2(5METHYL3NITRO1HPYRAZOL1YL)BUTAN1ONE
1(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)2(5methyl3nitropyrazol1yl)butan1one
1005634161
CCC(C(=O)N1C(CC(=N1)C)(C(F)F)O)N2C(=CC(=N2)(N+)(=O)(O))C
CCC(n1nc(cc1C)(N+)(=O)(O))C(=O)N1N=C(CC1(O)C(F)F)C
InChI=1SC13H17F2N5O4c149(188(3)510(1718)20(23)24)11(21)1913(2212(14)15)67(2)1619h591222H46H213H3
MFCD04133576
ZINC000006554834
ZINC000006555280

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Available files

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