Vitas-M small molecule compound
(4Z)-4-[2-(4-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK065920
SMILES CC(=O)c1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N
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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)11-2-6-13(7-3-11)20-21-16-15(22-23(17(16)26)18(19)29)12-4-8-14(9-5-12)24(27)28/h2-9,20H,1H3,(H2,19,29)/b21-16-InChIKey
VLOSPXMFZSTTFY-PGMHBOJBSA-NSynonyms
(4Z)4((4ACETYLPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(4ACETYLPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC(=O)C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
CC(=O)c1ccc(cc1)NN=C1C(=O)N(N=C1c1ccc(cc1)(N+)(=O)(O))C(=S)N
InChI=1SC18H14N6O4Sc110(25)112613(7311)20211615(2223(17(16)26)18(19)29)124814(9512)24(27)28h2920H1H3(H21929)b2116
MFCD01418640
STK065920
ZINC000002133190
ZINC02133190
ZINC101464334
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