Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK675380
SMILES CCOc1ccccc1/C=N/NC(=O)c1nnn(c1CN1CCCCCC1)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 C21H27N9O3 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N9O3/c1-2-32-17-10-6-5-9-15(17)13-23-25-21(31)18-16(14-29-11-7-3-4-8-12-29)30(28-24-18)20-19(22)26-33-27-20/h5-6,9-10,13H,2-4,7-8,11-12,14H2,1H3,(H2,22,26)(H,25,31)/b23-13+InChIKey
DOVIZHGISHYASN-YDZHTSKRSA-NSynonyms
1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N((E)(2ethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N((E)(2ethoxyphenyl)methylideneamino)triazole4carboxamide
CCOC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCCC4
CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N
InChI=1SC21H27N9O3c1232171065915(17)13232521(31)1816(14291173481229)30(282418)2019(22)26332720h5691013H2478111214H21H3(H22226)(H2531)b2313+
MFCD01572283
ZINC000000706230
ZINC33335833
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