Vitas-M small molecule compound
3-[1',3',5'-trimethyl-2-(4-nitrophenyl)-3,4-dihydro-1'H,2H-3,4'-bipyrazol-5-yl]phenol
Catalog ID
STL181749
SMILES Oc1cccc(c1)C1=NN(C(C1)c1c(C)nn(c1C)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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-13-21(14(2)24(3)22-13)20-12-19(15-5-4-6-18(27)11-15)23-25(20)16-7-9-17(10-8-16)26(28)29/h4-11,20,27H,12H2,1-3H3InChIKey
GRVKQXZVPPKUES-UHFFFAOYSA-NSynonyms
1263035-10-41263035104
3(1(4NITROPHENYL)5(135TRIMETHYLPYRAZOL4YL)2PYRAZOLIN3YL)PHENOL
3(135trimethyl2(4nitrophenyl)34dihydro1H2H34bipyrazol5yl)phenol
3(2(4nitrophenyl)3(135trimethylpyrazol4yl)34dihydropyrazol5yl)phenol
CC1=C(C(=NN1C)C)C2CC(=NN2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC(=CC=C4)O
InChI=1SC21H21N5O3c11321(14(2)24(3)2213)201219(1554618(27)1115)2325(20)167917(10816)26(28)29h4112027H12H213H3
MFCD20760122
Oc1cccc(c1)C1=NN(C(C1)c1c(C)nn(c1C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000071785132
ZINC000071785133
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