Vitas-M small molecule compound
(4Z)-4-[2-(naphthalen-1-yl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK008668
SMILES NC(=S)N1N=C(/C(=N/Nc2cccc3c2cccc3)/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 C20H14N6O3S MW 418.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N6O3S/c21-20(30)25-19(27)18(17(24-25)13-8-10-14(11-9-13)26(28)29)23-22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22H,(H2,21,30)/b23-18-InChIKey
SGKJCTDQGRNOGD-NKFKGCMQSA-NSynonyms
(4Z)4(2(NAPHTHALEN1YL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(NAPHTHALEN1YLHYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
C1=CC=C2C(=C1)C=CC=C2NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H14N6O3Sc2120(30)2519(27)18(17(2425)1381014(11913)26(28)29)23221673512412615(12)16h11122H(H22130)b2318
MFCD01418656
NC(=S)N1N=C(C(=NNc2cccc3c2cccc3)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK008668
ZINC000013573814
ZINC100530610
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