Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Catalog ID
STK570313
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(cc1O)[O-]
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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 C20H18N8O4S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O4S/c1-11-2-6-14(7-3-11)33-10-15-17(23-27-28(15)19-18(21)25-32-26-19)20(31)24-22-9-12-4-5-13(29)8-16(12)30/h2-9,29-30H,10H2,1H3,(H2,21,25)(H,24,31)/b22-9+InChIKey
YWFASJBSBYFCLF-LSFURLLWSA-NSynonyms
849011-70-74((E)(2((1(4ammonio125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)3hydroxyphenolate
849011707
Cc1ccc(cc1)SCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(cc1O)(O)
MFCD05680635
ZINC000002451473
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