Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL356326
SMILES COc1c(/C=N/NC(=O)c2nnn(c2CN2CCCCCC2)c2nonc2N)cccc1OC
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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 C21H27N9O4 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N9O4/c1-32-16-9-7-8-14(18(16)33-2)12-23-25-21(31)17-15(13-29-10-5-3-4-6-11-29)30(28-24-17)20-19(22)26-34-27-20/h7-9,12H,3-6,10-11,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+InChIKey
NNOUOSINTDIUPV-FSJBWODESA-NSynonyms
364627-72-5(E)1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N(23dimethoxybenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N((E)(23dimethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N((E)(23dimethoxyphenyl)methylideneamino)triazole4carboxamide
364627725
COC1=CC=CC(=C1OC)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCCC4
COc1c(C=NNC(=O)c2nnn(c2CN2CCCCCC2)c2nonc2N)cccc1OC
InChI=1SC21H27N9O4c1321697814(18(16)332)12232521(31)1715(13291053461129)30(282417)2019(22)26342720h7912H36101113H212H3(H22226)(H2531)b2312+
MFCD02631384
ZINC000009272419
ZINC34738109
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