Vitas-M small molecule compound
2-({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Catalog ID
STL401603
SMILES CCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1ccc(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 C19H20N6O4S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6O4S/c1-4-24-18(27)16(9-13-10-23(3)22-12(13)2)21-19(24)30-11-17(26)20-14-5-7-15(8-6-14)25(28)29/h5-10H,4,11H2,1-3H3,(H,20,26)/b16-9+InChIKey
KIIRCNXUFADIHZ-CXUHLZMHSA-NSynonyms
1005694-71-21005694712
2(((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1ethyl5oxo45dihydro1Himidazol2yl)sulfanyl)N(4nitrophenyl)acetamide
2((4E)4((13dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylN(4nitrophenyl)acetamide
CCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
CCN1C(=O)C(=CC2=CN(N=C2C)C)N=C1SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H20N6O4Sc142418(27)16(9131023(3)2212(13)2)2119(24)301117(26)20145715(8614)25(28)29h510H411H213H3(H2026)b169+
MFCD04049603
ZINC000017095805
ZINC17095805
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