Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenolate
Catalog ID
STL042489
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2cccs2)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 C18H16N8O5S MW 456.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N8O5S/c1-29-10-6-9(7-11(30-2)15(10)27)8-20-22-18(28)13-14(12-4-3-5-32-12)26(25-21-13)17-16(19)23-31-24-17/h3-8,27H,1-2H3,(H2,19,23)(H,22,28)/b20-8+InChIKey
CGUOTQONEPOPCO-DNTJNYDQSA-NSynonyms
849002-22-8849002228
COc1cc(C=NNC(=O)c2nnn(c2c2cccs2)c2nonc2(NH3+))cc(c1(O))OC
MFCD05680016
ZINC000001897080
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