Vitas-M small molecule compound

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone

Catalog ID
STK092643
SMILES O=C(N1N=C(CC1(O)C(F)(F)F)C)Cc1ccc(cc1)[N+](=O)[O-]

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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 C13H12F3N3O4 MW 331.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O4/c1-8-7-12(21,13(14,15)16)18(17-8)11(20)6-9-2-4-10(5-3-9)19(22)23/h2-5,21H,6-7H2,1H3
InChIKey
RNFUYCGRUNGHDC-UHFFFAOYSA-N
Synonyms

1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC13H12F3N3O4c18712(2113(1415)16)18(178)11(20)692410(539)19(22)23h2521H67H21H3
MFCD01306035
O=C(N1N=C(CC1(O)C(F)(F)F)C)Cc1ccc(cc1)(N+)(=O)(O)
STK092643
ZINC000000067514
ZINC000000067519

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Available files

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