Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL004706
SMILES CCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
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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 C21H20N8O3S MW 464.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O3S/c1-2-31-15-10-8-14(9-11-15)12-23-25-21(30)18-17(13-33-16-6-4-3-5-7-16)29(28-24-18)20-19(22)26-32-27-20/h3-12H,2,13H2,1H3,(H2,22,26)(H,25,30)/b23-12+InChIKey
XHUDMAUJMOJYHL-FSJBWODESA-NSynonyms
578721-28-5(E)1(4amino125oxadiazol3yl)N(4ethoxybenzylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4ethoxyphenyl)methylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(4ETHOXYPHENYL)METHYLIDENEAMINO)5(PHENYLSULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
578721285
CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4
CCOc1ccc(cc1)C=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
InChI=1SC21H20N8O3Sc12311510814(91115)12232521(30)1817(1333166435716)29(282418)2019(22)26322720h312H213H21H3(H22226)(H2530)b2312+
MFCD04029693
ZINC000002389400
ZINC33364775
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