Vitas-M small molecule compound

(4E)-3-methyl-4-[2-(naphthalen-2-yl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Catalog ID
STK038966
SMILES NC(=S)N1N=C(/C(=N\Nc2ccc3c(c2)cccc3)/C1=O)C

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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 C15H13N5OS MW 311.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5OS/c1-9-13(14(21)20(19-9)15(16)22)18-17-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,17H,1H3,(H2,16,22)/b18-13+
InChIKey
PNYSMEDONQBCLY-QGOAFFKASA-N
Synonyms

(4E)3METHYL4(2(NAPHTHALEN2YL)HYDRAZINYLIDENE)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
(4E)3METHYL4(2NAPHTHALENYLHYDRAZINYLIDENE)5OXO1PYRAZOLECARBOTHIOAMIDE
(4E)3METHYL4(2NAPHTHYLHYDRAZONO)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
(4E)3METHYL4(NAPHTHALEN2YLHYDRAZINYLIDENE)5OXIDANYLIDENEPYRAZOLE1CARBOTHIOAMIDE
(4E)3METHYL4(NAPHTHALEN2YLHYDRAZINYLIDENE)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)5KETO3METHYL4(2NAPHTHYLHYDRAZONO)2PYRAZOLINE1CARBOTHIOAMIDE
CC1=NN(C(=O)C1=NNC2=CC3=CC=CC=C3C=C2)C(=S)N
InChI=1SC15H13N5OSc1913(14(21)20(199)15(16)22)1817127610423511(10)812h2817H1H3(H21622)b1813+
MFCD01839167
NC(=S)N1N=C(C(=NNc2ccc3c(c2)cccc3)C1=O)C
STK038966
ZINC000100005921
ZINC13543938

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.