Vitas-M small molecule compound
(4E)-4-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK077531
SMILES O=C1N(N=C(/C/1=N\Nc1nc2c(s1)cccc2)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 C22H14N6O3S MW 442.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N6O3S/c29-21-20(24-25-22-23-17-8-4-5-9-18(17)32-22)19(14-6-2-1-3-7-14)26-27(21)15-10-12-16(13-11-15)28(30)31/h1-13H,(H,23,25)/b24-20+InChIKey
YHLHDLLQLZZQPL-HIXSDJFHSA-NSynonyms
(4E)4(13BENZOTHIAZOL2YLHYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4E)4(2(13BENZOTHIAZOL2YL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H14N6O3Sc292120(2425222317845918(17)3222)19(146213714)2627(21)15101216(131115)28(30)31h113H(H2325)b2420+
MFCD01418802
O=C1N(N=C(C1=NNc1nc2c(s1)cccc2)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
STK077531
ZINC000100555968
ZINC13574670
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