Vitas-M small molecule compound
2-{[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STL402420
SMILES CC(CN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C
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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 C21H24N6O4S MW 456.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O4S/c1-13(2)10-26-20(29)18(9-15-11-25(4)24-14(15)3)23-21(26)32-12-19(28)22-16-5-7-17(8-6-16)27(30)31/h5-9,11,13H,10,12H2,1-4H3,(H,22,28)/b18-9+InChIKey
LCMFWHDPCDYUHD-GIJQJNRQSA-NSynonyms
1005612-19-01005612190
2(((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(2methylpropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)N(4nitrophenyl)acetamide
2((4E)4((13DIMETHYLPYRAZOL4YL)METHYLIDENE)1(2METHYLPROPYL)5OXOIMIDAZOL2YL)SULFANYLN(4NITROPHENYL)ACETAMIDE
CC(CN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O))C
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))CC(C)C)C
InChI=1SC21H24N6O4Sc113(2)102620(29)18(9151125(4)2414(15)3)2321(26)321219(28)22165717(8616)27(30)31h591113H1012H214H3(H2228)b189+
MFCD04050181
ZINC000022562762
ZINC22562762
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