Vitas-M small molecule compound
4-{(E)-[2-({1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2,6-dimethoxyphenolate
Catalog ID
STL042686
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccccc2)c2nonc2[NH3+])cc(c1[O-])OC
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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 C21H20N8O5S MW 496.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O5S/c1-32-15-8-12(9-16(33-2)18(15)30)10-23-25-21(31)17-14(11-35-13-6-4-3-5-7-13)29(28-24-17)20-19(22)26-34-27-20/h3-10,30H,11H2,1-2H3,(H2,22,26)(H,25,31)/b23-10+InChIKey
PQMWNXZVYWFQOE-AUEPDCJTSA-NSynonyms
840486-28-4840486284
COc1cc(C=NNC(=O)c2nnn(c2CSc2ccccc2)c2nonc2(NH3+))cc(c1(O))OC
MFCD04007778
ZINC000002265173
Check stock
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Check stock on Vitas-MAvailable files
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