Vitas-M small molecule compound
2-({(4E)-1-cyclohexyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Catalog ID
STK305187
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSC1=N/C(=C/c2cn(nc2C)C)/C(=O)N1C1CCCCC1
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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 C23H26N6O4S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O4S/c1-15-16(13-27(2)26-15)12-20-22(31)28(18-6-4-3-5-7-18)23(25-20)34-14-21(30)24-17-8-10-19(11-9-17)29(32)33/h8-13,18H,3-7,14H2,1-2H3,(H,24,30)/b20-12+InChIKey
BLFBIAOMJIWGIQ-UDWIEESQSA-NSynonyms
1005611-39-11005611391
2(((4E)1cyclohexyl4((13dimethyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)N(4nitrophenyl)acetamide
2((4E)1CYCLOHEXYL4((13DIMETHYLPYRAZOL4YL)METHYLIDENE)5OXOIMIDAZOL2YL)SULFANYLN(4NITROPHENYL)ACETAMIDE
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))C4CCCCC4)C
InChI=1SC23H26N6O4Sc11516(1327(2)2615)122022(31)28(186435718)23(2520)341421(30)241781019(11917)29(32)33h81318H3714H212H3(H2430)b2012+
MFCD04050188
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSC1=NC(=Cc2cn(nc2C)C)C(=O)N1C1CCCCC1
ZINC000013959479
ZINC13959479
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