Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]-2-methoxyphenolate
Catalog ID
STK569037
SMILES COc1cc(ccc1[O-])/C(=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1[NH3+])/C
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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 C18H16N8O4S MW 440.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N8O4S/c1-9(10-5-6-11(27)12(8-10)29-2)20-22-18(28)14-15(13-4-3-7-31-13)26(25-21-14)17-16(19)23-30-24-17/h3-8,27H,1-2H3,(H2,19,23)(H,22,28)/b20-9+InChIKey
LMGYRTFQUCLRKM-AWQFTUOYSA-NSynonyms
848993-31-7848993317
COc1cc(ccc1(O))C(=NNC(=O)c1nnn(c1c1cccs1)c1nonc1(NH3+))C
MFCD05679184
ZINC000020462187
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