Vitas-M small molecule compound
[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Catalog ID
STK431751
SMILES FC(C1(O)CC(=NN1C(=O)c1ccc(cc1)[N+](=O)[O-])C1CC1)F
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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 C14H13F2N3O4 MW 325.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13F2N3O4/c15-13(16)14(21)7-11(8-1-2-8)17-18(14)12(20)9-3-5-10(6-4-9)19(22)23/h3-6,8,13,21H,1-2,7H2InChIKey
PXJFCLUTOOYLBP-UHFFFAOYSA-NSynonyms
(3cyclopropyl5(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(4nitrophenyl)methanone
(3CYCLOPROPYL5(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)(4NITROPHENYL)METHANONE
5(DIFLUOROMETHYL)3CYCLOPROPYL5HYDROXY(2PYRAZOLINYL)4NITROPHENYLKETONE
C1CC1C2=NN(C(C2)(C(F)F)O)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
FC(C1(O)CC(=NN1C(=O)c1ccc(cc1)(N+)(=O)(O))C1CC1)F
InChI=1SC14H13F2N3O4c1513(16)14(21)711(8128)1718(14)12(20)93510(649)19(22)23h3681321H127H2
MFCD03466448
ZINC000008663677
ZINC000017066571
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