Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL158964
SMILES COc1ccc(c(c1)OC)/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 C21H18N8O6 MW 478.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N8O6/c1-31-13-5-3-12(15(8-13)32-2)9-23-25-21(30)17-18(11-4-6-14-16(7-11)34-10-33-14)29(28-24-17)20-19(22)26-35-27-20/h3-9H,10H2,1-2H3,(H2,22,26)(H,25,30)/b23-9+InChIKey
HQXHQCAHHUVFNC-NUGSKGIGSA-NSynonyms
861139-43-7(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N(24dimethoxybenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(24dimethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(24dimethoxyphenyl)methylideneamino)triazole4carboxamide
861139437
COC1=CC(=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)OC
COc1ccc(c(c1)OC)C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N
InChI=1SC21H18N8O6c131135312(15(813)322)9232521(30)1718(11461416(711)34103314)29(282417)2019(22)26352720h39H10H212H3(H22226)(H2530)b239+
MFCD05683805
ZINC000009307978
ZINC35151380
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