Vitas-M small molecule compound
4-({[(6-{2-[(2-methylpropanoyl)amino]phenyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)benzamide
Catalog ID
STL572345
SMILES O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(c(=O)[nH]1)c1ccccc1NC(=O)C(C)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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c1-12(2)20(31)25-16-6-4-3-5-15(16)18-21(32)26-22(28-27-18)33-11-17(29)24-14-9-7-13(8-10-14)19(23)30/h3-10,12H,11H2,1-2H3,(H2,23,30)(H,24,29)(H,25,31)(H,26,28,32)InChIKey
ISTKKQZXMUXOBL-UHFFFAOYSA-NSynonyms
135969590
4((((6(2((2methylpropanoyl)amino)phenyl)5oxo45dihydro124triazin3yl)sulfanyl)acetyl)amino)benzamide
4((((6(2(ISOBUTYRYLAMINO)PHENYL)5OXO45DIHYDRO124TRIAZIN3YL)THIO)ACETYL)AMINO)BENZAMIDE
4((2((6(2(2methylpropanoylamino)phenyl)5oxo4H124triazin3yl)sulfanyl)acetyl)amino)benzamide
InChI=1SC22H22N6O4Sc112(2)20(31)2516643515(16)1821(32)2622(282718)331117(29)24149713(81014)19(23)30h31012H11H212H3(H22330)(H2429)(H2531)(H262832)
MFCD27589996
ZINC000064774573
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