Vitas-M small molecule compound
[5-hydroxy-3-methyl-5-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Catalog ID
STK747065
SMILES O=C(N1N=C(CC1(O)c1ccncc1)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 C16H14N4O4 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4/c1-11-10-16(22,13-6-8-17-9-7-13)19(18-11)15(21)12-2-4-14(5-3-12)20(23)24/h2-9,22H,10H2,1H3InChIKey
MKPATJMKQKNAEB-UHFFFAOYSA-NSynonyms
(5hydroxy3methyl5(pyridin4yl)45dihydro1Hpyrazol1yl)(4nitrophenyl)methanone
(5HYDROXY3METHYL5PYRIDIN4YL4HPYRAZOL1YL)(4NITROPHENYL)METHANONE
3METHYL1((4NITROPHENYL)CARBONYL)5PYRIDIN4YL45DIHYDRO1HPYRAZOL5OL
5HYDROXY3METHYL5(4PYRIDYL)(2PYRAZOLINYL)4NITROPHENYLKETONE
CC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H14N4O4c1111016(221368179713)19(1811)15(21)122414(5312)20(23)24h2922H10H21H3
MFCD00686108
O=C(N1N=C(CC1(O)c1ccncc1)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000000048866
ZINC000000048867
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