Vitas-M small molecule compound
(4Z)-4-[2-(3-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK089188
SMILES NC(=S)N1N=C(/C(=N/Nc2cccc(c2)C(=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 C18H14N6O4S MW 410.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N6O4S/c1-10(25)12-3-2-4-13(9-12)20-21-16-15(22-23(17(16)26)18(19)29)11-5-7-14(8-6-11)24(27)28/h2-9,20H,1H3,(H2,19,29)/b21-16-InChIKey
FVNORXWNYZGSPG-PGMHBOJBSA-NSynonyms
(4Z)4((3acetylphenyl)hydrazinylidene)3(4nitrophenyl)5oxopyrazole1carbothioamide
(4Z)4(2(3ACETYLPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC(=O)C1=CC(=CC=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H14N6O4Sc110(25)1232413(912)20211615(2223(17(16)26)18(19)29)115714(8611)24(27)28h2920H1H3(H21929)b2116
MFCD01418641
NC(=S)N1N=C(C(=NNc2cccc(c2)C(=O)C)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK089188
ZINC000001953994
ZINC100512822
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