Vitas-M small molecule compound
(4E)-3-(4-nitrophenyl)-4-[2-(3-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK031691
SMILES NC(=S)N1N=C(/C(=N\Nc2cccc(c2)[N+](=O)[O-])/C1=O)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 C16H11N7O5S MW 413.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N7O5S/c17-16(29)21-15(24)14(19-18-10-2-1-3-12(8-10)23(27)28)13(20-21)9-4-6-11(7-5-9)22(25)26/h1-8,18H,(H2,17,29)/b19-14+InChIKey
DSAGRJAZFZSSCV-XMHGGMMESA-NSynonyms
(4E)3(4NITROPHENYL)4((3NITROPHENYL)HYDRAZINYLIDENE)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)3(4NITROPHENYL)4(2(3NITROPHENYL)HYDRAZINYLIDENE)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1=CC(=CC(=C1)(N+)(=O)(O))NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H11N7O5Sc1716(29)2115(24)14(19181021312(810)23(27)28)13(2021)94611(759)22(25)26h1818H(H21729)b1914+
MFCD01078278
NC(=S)N1N=C(C(=NNc2cccc(c2)(N+)(=O)(O))C1=O)c1ccc(cc1)(N+)(=O)(O)
STK031691
ZINC000018286493
ZINC101415842
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