Vitas-M small molecule compound
4-{(2Z)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzenesulfonic acid
Catalog ID
STK069140
SMILES CC1=NN(C(=O)/C/1=N\Nc1ccc(cc1)S(=O)(=O)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 C16H13N5O6S MW 403.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O6S/c1-10-15(18-17-11-2-8-14(9-3-11)28(25,26)27)16(22)20(19-10)12-4-6-13(7-5-12)21(23)24/h2-9,17H,1H3,(H,25,26,27)/b18-15-InChIKey
QCSGRCDUEFHUID-SDXDJHTJSA-NSynonyms
4(((3METHYL1(4NITROPHENYL)5OXO12DIAZOLIN4YLIDENE)AZAMETHYL)AMINO)BENZENESULFONICACID
4((2Z)2(3METHYL1(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZENESULFONICACID
4((2Z)2(3METHYL1(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZENESULFONICACID
CC1=NN(C(=O)C1=NNc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H13N5O6Sc11015(1817112814(9311)28(2526)27)16(22)20(1910)124613(7512)21(23)24h2917H1H3(H252627)b1815
MFCD01011629
STK069140
ZINC000013574778
ZINC101468173
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