Vitas-M small molecule compound

4-{(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2-hydroxybenzoic acid

Catalog ID
STK022460
SMILES NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)O)C(=O)O)/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 C17H12N6O6S MW 428.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N6O6S/c18-17(30)22-15(25)14(13(21-22)8-1-4-10(5-2-8)23(28)29)20-19-9-3-6-11(16(26)27)12(24)7-9/h1-7,19,24H,(H2,18,30)(H,26,27)/b20-14+
InChIKey
BDXBCSOHLCGHQG-XSFVSMFZSA-N
Synonyms
314760-24-2
314760242
4(((1(AMINOTHIOXOMETHYL)3(4NITROPHENYL)5OXO(12DIAZOLIN4YLIDENE))AZAMETHYL)AMINO)2HYDROXYBENZOICACID
4((2E)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)2HYDROXYBENZOICACID
4((2E)2(1carbamothioyl3(4nitrophenyl)5oxopyrazol4ylidene)hydrazinyl)2hydroxybenzoicacid
C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC(=C(C=C3)C(=O)O)O)C(=S)N)(N+)(=O)(O)
InChI=1SC17H12N6O6Sc1817(30)2215(25)14(13(2122)81410(528)23(28)29)201993611(16(26)27)12(24)79h171924H(H21830)(H2627)b2014+
MFCD02026080
NC(=S)N1N=C(C(=NNc2ccc(c(c2)O)C(=O)O)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK022460
ZINC000100006083
ZINC12374472

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Available files

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