Vitas-M small molecule compound
(4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK064685
SMILES NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)[N+](=O)[O-])C)/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 C17H13N7O5S MW 427.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N7O5S/c1-9-2-5-11(8-13(9)24(28)29)19-20-15-14(21-22(16(15)25)17(18)30)10-3-6-12(7-4-10)23(26)27/h2-8,19H,1H3,(H2,18,30)/b20-15+InChIKey
QKHJBNZTHXPDKX-HMMYKYKNSA-NSynonyms
(4E)4((4METHYL3NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)4(2(4METHYL3NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H13N7O5Sc192511(813(9)24(28)29)19201514(2122(16(15)25)17(18)30)103612(7410)23(26)27h2819H1H3(H21830)b2015+
MFCD01008360
NC(=S)N1N=C(C(=NNc2ccc(c(c2)(N+)(=O)(O))C)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK064685
ZINC000009553793
ZINC101462790
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