Vitas-M small molecule compound

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

Catalog ID
STL363524
SMILES O=C(N1N=C(CC1(O)c1ccccc1)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 C18H17N3O4 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4/c1-13-12-18(23,15-5-3-2-4-6-15)20(19-13)17(22)11-14-7-9-16(10-8-14)21(24)25/h2-10,23H,11-12H2,1H3
InChIKey
BXAVAUYABSYMLW-UHFFFAOYSA-N
Synonyms

1(5hydroxy3methyl5phenyl45dihydro1Hpyrazol1yl)2(4nitrophenyl)ethanone
1(5HYDROXY3METHYL5PHENYL45DIHYDROPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
1(5HYDROXY3METHYL5PHENYL4HPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H17N3O4c1131218(23155324615)20(1913)17(22)11147916(10814)21(24)25h21023H1112H21H3
MFCD00470724
O=C(N1N=C(CC1(O)c1ccccc1)C)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000000508249
ZINC000000508250

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Available files

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