Vitas-M small molecule compound
2-{(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzenesulfonate
Catalog ID
STK087557
SMILES CC1=NN(C(=O)/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-16-21(23(27)25(24-16)18-11-13-19(14-12-18)26(28)29)15-17-7-5-6-10-22(17)32-33(30,31)20-8-3-2-4-9-20/h2-15H,1H3/b21-15+InChIKey
ALMSDZAMBRECID-RCCKNPSSSA-NSynonyms
(2((E)(3METHYL1(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)PHENYL)BENZENESULFONATE
2((E)(3METHYL1(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYLBENZENESULFONATE
CC1=NN(C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H17N3O6Sc11621(23(27)25(2416)18111319(141218)26(28)29)15177561022(17)3233(3031)208324920h215H1H3b2115+
MFCD07586411
STK087557
ZINC000101490086
ZINC101490086
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