Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL002247
SMILES CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc2c(c1)OCO2
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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/c1-2-31-14-6-4-13(5-7-14)18-17(24-28-29(18)20-19(22)26-34-27-20)21(30)25-23-10-12-3-8-15-16(9-12)33-11-32-15/h3-10H,2,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+InChIKey
BEKZTYVJXYUVTQ-AUEPDCJTSA-NSynonyms
842965-43-9(E)1(4amino125oxadiazol3yl)N(benzo(d)(13)dioxol5ylmethylene)5(4ethoxyphenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylidene)5(4ethoxyphenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)5(4ETHOXYPHENYL)TRIAZOLE4CARBOXAMIDE
842965439
CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC5=C(C=C4)OCO5
CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc2c(c1)OCO2
InChI=1SC21H18N8O5c1231146413(5714)1817(242829(18)2019(22)26342720)21(30)25231012381516(912)33113215h310H211H21H3(H22226)(H2530)b2310+
MFCD04012513
ZINC000002403877
ZINC33365624
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