Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(1E)-1-phenylethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL346765
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccccc1)\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 C21H20N8O2S MW 448.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O2S/c1-13-8-10-16(11-9-13)32-12-17-18(24-28-29(17)20-19(22)26-31-27-20)21(30)25-23-14(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-14+InChIKey
QNQORXVGOXEXBL-OEAKJJBVSA-NSynonyms
848993-05-5(E)1(4amino125oxadiazol3yl)N(1phenylethylidene)5((ptolylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)N((1E)1phenylethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((4methylphenyl)sulfanylmethyl)N((E)1phenylethylideneamino)triazole4carboxamide
848993055
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=CC=C4
Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)NN=C(c1ccccc1)C
InChI=1SC21H20N8O2Sc11381016(11913)32121718(242829(17)2019(22)26312720)21(30)252314(2)156435715h311H12H212H3(H22226)(H2530)b2314+
MFCD05679157
ZINC000009234053
ZINC35351236
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