Vitas-M small molecule compound
(4Z)-4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK076076
SMILES NC(=S)N1N=C(/C(=N/Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])/C1=O)c1ccccc1
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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/c17-10-6-9(24(26)27)7-11(18)13(10)20-21-14-12(8-4-2-1-3-5-8)22-23(15(14)25)16(19)28/h1-7,20H,(H2,19,28)/b21-14-InChIKey
ZHLFKISHGSDQHU-STZFKDTASA-NSynonyms
(4Z)4((26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)5OXO3PHENYLPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)5OXO3PHENYL45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
(E)4(2(26dichloro4nitrophenyl)hydrazono)5oxo3phenyl45dihydro1Hpyrazole1carbothioamide
C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Cl)(N+)(=O)(O))Cl)C(=S)N
InChI=1SC16H10Cl2N6O3Sc171069(24(26)27)711(18)13(10)20211412(8421358)2223(15(14)25)16(19)28h1720H(H21928)b2114
MFCD01418618
NC(=S)N1N=C(C(=NNc2c(Cl)cc(cc2Cl)(N+)(=O)(O))C1=O)c1ccccc1
STK076076
ZINC000012376577
ZINC100005982
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