Vitas-M small molecule compound
5-methyl-4-[(E)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL363602
SMILES S=C1NC(=O)/C(=C\C2C(=NN(C2=O)c2ccccc2)C)/N1
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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 C14H12N4O2S MW 300.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O2S/c1-8-10(7-11-12(19)16-14(21)15-11)13(20)18(17-8)9-5-3-2-4-6-9/h2-7,10H,1H3,(H2,15,16,19,21)/b11-7+InChIKey
UFKNVXBWMBITCM-YRNVUSSQSA-NSynonyms
(E)3methyl4((5oxo2thioxoimidazolidin4ylidene)methyl)1phenyl1Hpyrazol5(4H)one
5methyl4((E)(5oxo2sulfanylideneimidazolidin4ylidene)methyl)2phenyl4Hpyrazol3one
5methyl4((E)(5oxo2thioxoimidazolidin4ylidene)methyl)2phenyl24dihydro3Hpyrazol3one
5METHYL4(5OXO2THIOXOIMIDAZOLIDIN(4E)YLIDENEMETHYL)2PHENYL24DIHYDROPYRAZOL3ONE
CC1=NN(C(=O)C1C=C2C(=O)NC(=S)N2)C3=CC=CC=C3
InChI=1SC14H12N4O2Sc1810(71112(19)1614(21)1511)13(20)18(178)9532469h2710H1H3(H215161921)b117+
MFCD02193933
S=C1NC(=O)C(=CC2C(=NN(C2=O)c2ccccc2)C)N1
ZINC000100149936
ZINC000100149939
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