Vitas-M small molecule compound
(4E)-4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK022990
SMILES NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)[N+](=O)[O-])Cl)/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 C16H10ClN7O5S MW 447.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClN7O5S/c17-11-6-3-9(7-12(11)24(28)29)19-20-14-13(21-22(15(14)25)16(18)30)8-1-4-10(5-2-8)23(26)27/h1-7,19H,(H2,18,30)/b20-14+InChIKey
ANQMSNIWNSUCFH-XSFVSMFZSA-NSynonyms
(4E)4((4chloro3nitrophenyl)hydrazinylidene)3(4nitrophenyl)5oxopyrazole1carbothioamide
(4E)4(2(4CHLORO3NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=S)N)(N+)(=O)(O)
InChI=1SC16H10ClN7O5Sc1711639(712(11)24(28)29)19201413(2122(15(14)25)16(18)30)81410(528)23(26)27h1719H(H21830)b2014+
MFCD01008363
NC(=S)N1N=C(C(=NNc2ccc(c(c2)(N+)(=O)(O))Cl)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK022990
ZINC000100423269
ZINC12275896
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