Vitas-M small molecule compound
2-({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Catalog ID
STK305258
SMILES CC(CN1C(=N/C(=C/c2cnn(c2)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 C20H22N6O4S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O4S/c1-13(2)10-25-19(28)17(8-14-9-21-24(3)11-14)23-20(25)31-12-18(27)22-15-4-6-16(7-5-15)26(29)30/h4-9,11,13H,10,12H2,1-3H3,(H,22,27)/b17-8+InChIKey
OVHUDTXUDNWWTJ-CAOOACKPSA-NSynonyms
1005634-58-11005634581
2(((4E)1(2methylpropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)N(4nitrophenyl)acetamide
2((4E)1(2METHYLPROPYL)4((1METHYLPYRAZOL4YL)METHYLIDENE)5OXOIMIDAZOL2YL)SULFANYLN(4NITROPHENYL)ACETAMIDE
CC(C)CN1C(=O)C(=CC2=CN(N=C2)C)N=C1SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
CC(CN1C(=NC(=Cc2cnn(c2)C)C1=O)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC20H22N6O4Sc113(2)102519(28)17(81492124(3)1114)2320(25)311218(27)22154616(7515)26(29)30h491113H1012H213H3(H2227)b178+
MFCD04050268
ZINC000013959531
ZINC13959531
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