Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL232204
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccccc2)c2nonc2N)ccc1OC
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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 C21H20N8O4S MW 480.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O4S/c1-31-16-9-8-13(10-17(16)32-2)11-23-25-21(30)18-15(12-34-14-6-4-3-5-7-14)29(28-24-18)20-19(22)26-33-27-20/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
PDOSXRZFOMKZST-FOKLQQMPSA-NSynonyms
577767-01-2(E)1(4amino125oxadiazol3yl)N(34dimethoxybenzylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(34dimethoxyphenyl)methylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(34dimethoxyphenyl)methylideneamino)5(phenylsulfanylmethyl)triazole4carboxamide
577767012
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4)OC
COc1cc(C=NNC(=O)c2nnn(c2CSc2ccccc2)c2nonc2N)ccc1OC
InChI=1SC21H20N8O4Sc131169813(1017(16)322)11232521(30)1815(1234146435714)29(282418)2019(22)26332720h311H12H212H3(H22226)(H2530)b2311+
MFCD04018924
ZINC000013514153
ZINC97475370
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