Vitas-M small molecule compound
(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
Catalog ID
STK794699
SMILES O=C(N1N=C(CC1(C)O)C)c1ccc(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 C12H13N3O4 MW 263.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O4/c1-8-7-12(2,17)14(13-8)11(16)9-3-5-10(6-4-9)15(18)19/h3-6,17H,7H2,1-2H3InChIKey
TZYDUQBFBRCHEN-UHFFFAOYSA-NSynonyms
74102-41-3(5hydroxy35dimethyl45dihydro1Hpyrazol1yl)(4nitrophenyl)methanone
(5HYDROXY35DIMETHYL45DIHYDROPYRAZOL1YL)(4NITROPHENYL)METHANONE
(5HYDROXY35DIMETHYL4HPYRAZOL1YL)(4NITROPHENYL)METHANONE
35DIMETHYL1((4NITROPHENYL)CARBONYL)45DIHYDRO1HPYRAZOL5OL
74102413
CC1=NN(C(C1)(C)O)C(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H13N3O4c18712(217)14(138)11(16)93510(649)15(18)19h3617H7H212H3
MFCD00186367
O=C(N1N=C(CC1(C)O)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000000067151
ZINC000000067157
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