Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL004590
SMILES COc1c(/C=N/NC(=O)c2nnn(c2CSc2ccccc2)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 C21H20N8O4S MW 480.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O4S/c1-31-16-10-6-7-13(18(16)32-2)11-23-25-21(30)17-15(12-34-14-8-4-3-5-9-14)29(28-24-17)20-19(22)26-33-27-20/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
JICHSDVWIWTRCX-FOKLQQMPSA-NSynonyms
843620-83-7(E)1(4amino125oxadiazol3yl)N(23dimethoxybenzylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(23dimethoxyphenyl)methylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(23DIMETHOXYPHENYL)METHYLIDENEAMINO)5(PHENYLSULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
843620837
COC1=CC=CC(=C1OC)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4
COc1c(C=NNC(=O)c2nnn(c2CSc2ccccc2)c2nonc2N)cccc1OC
InChI=1SC21H20N8O4Sc13116106713(18(16)322)11232521(30)1715(1234148435914)29(282417)2019(22)26332720h311H12H212H3(H22226)(H2530)b2311+
MFCD04013670
ZINC000002234047
ZINC33351231
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