Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL002260
SMILES CCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)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 C21H18N8O5 MW 462.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N8O5/c1-2-31-14-6-3-12(4-7-14)10-23-25-21(30)17-18(13-5-8-15-16(9-13)33-11-32-15)29(28-24-17)20-19(22)26-34-27-20/h3-10H,2,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+InChIKey
BMWUYASTSXMSEB-AUEPDCJTSA-NSynonyms
861651-20-9(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N(4ethoxybenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(4ethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(4ethoxyphenyl)methylideneamino)triazole4carboxamide
861651209
CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5
CCOc1ccc(cc1)C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N
InChI=1SC21H18N8O5c1231146312(4714)10232521(30)1718(13581516(913)33113215)29(282417)2019(22)26342720h310H211H21H3(H22226)(H2530)b2310+
MFCD05686446
ZINC000009497228
ZINC33627854
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