Vitas-M small molecule compound
(4Z)-4-[2-(2,6-dichlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK033874
SMILES NC(=S)N1N=C(/C(=N/Nc2c(Cl)cccc2Cl)/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 C16H10Cl2N6O3S MW 437.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10Cl2N6O3S/c17-10-2-1-3-11(18)13(10)20-21-14-12(22-23(15(14)25)16(19)28)8-4-6-9(7-5-8)24(26)27/h1-7,20H,(H2,19,28)/b21-14-InChIKey
WBAVLRFFSGPTTG-STZFKDTASA-NSynonyms
(4Z)4((26dichlorophenyl)hydrazinylidene)3(4nitrophenyl)5oxopyrazole1carbothioamide
(4Z)4(2(26DICHLOROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1=CC(=C(C(=C1)Cl)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC16H10Cl2N6O3Sc171021311(18)13(10)20211412(2223(15(14)25)16(19)28)8469(758)24(26)27h1720H(H21928)b2114
MFCD01418630
NC(=S)N1N=C(C(=NNc2c(Cl)cccc2Cl)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK033874
ZINC000012275814
ZINC101418632
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