Vitas-M small molecule compound

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

Catalog ID
STK051319
SMILES NC(=S)N1N=C(/C(=N/Nc2ccccc2C(=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 C17H12N6O5S MW 412.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N6O5S/c18-17(29)22-15(24)14(20-19-12-4-2-1-3-11(12)16(25)26)13(21-22)9-5-7-10(8-6-9)23(27)28/h1-8,19H,(H2,18,29)(H,25,26)/b20-14-
InChIKey
UOTNOYWHXJTBRC-ZHZULCJRSA-N
Synonyms

(E)2(2(1carbamothioyl3(4nitrophenyl)5oxo1Hpyrazol4(5H)ylidene)hydrazinyl)benzoicacid
2((2Z)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
2((2Z)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
C1=CC=C(C(=C1)C(=O)O)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H12N6O5Sc1817(29)2215(24)14(201912421311(12)16(25)26)13(2122)95710(869)23(27)28h1819H(H21829)(H2526)b2014
MFCD01418644
NC(=S)N1N=C(C(=NNc2ccccc2C(=O)O)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK051319
ZINC000013943647
ZINC2334211

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Available files

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