Vitas-M small molecule compound
4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzenesulfonic acid
Catalog ID
STK042309
SMILES NC(=S)N1N=C(/C(=N/Nc2ccc(cc2)S(=O)(=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 C16H12N6O6S2 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N6O6S2/c17-16(29)21-15(23)14(13(20-21)9-1-5-11(6-2-9)22(24)25)19-18-10-3-7-12(8-4-10)30(26,27)28/h1-8,18H,(H2,17,29)(H,26,27,28)/b19-14-InChIKey
PZMLNCQDHHDMLD-RGEXLXHISA-NSynonyms
314291-82-2314291822
4((2Z)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZENESULFONICACID
4((2Z)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZENESULFONICACID
C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)O)C(=S)N)(N+)(=O)(O)
InChI=1SC16H12N6O6S2c1716(29)2115(23)14(13(2021)91511(629)22(24)25)1918103712(8410)30(2627)28h1818H(H21729)(H262728)b1914
MFCD01418658
NC(=S)N1N=C(C(=NNc2ccc(cc2)S(=O)(=O)O)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK042309
ZINC000012275789
ZINC100005677
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