Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]-2-methoxyphenolate
Catalog ID
STL057272
SMILES COc1cc(ccc1[O-])/C(=N/NC(=O)c1nnn(c1CSc1ccc(cc1)C)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 C22H22N8O4S MW 494.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O4S/c1-12-4-7-15(8-5-12)35-11-16-19(25-29-30(16)21-20(23)27-34-28-21)22(32)26-24-13(2)14-6-9-17(31)18(10-14)33-3/h4-10,31H,11H2,1-3H3,(H2,23,27)(H,26,32)/b24-13+InChIKey
RLKNTUBROKSPSO-ZMOGYAJESA-NSynonyms
861643-39-24((1E)1(2((1(4ammonio125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)2methoxyphenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5((4methylphenyl)sulfanylmethyl)triazole4carbonyl)amino)Cmethylcarbonimidoyl)2methoxyphenolate
861643392
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=C(C)C4=CC(=C(C=C4)(O))OC
COc1cc(ccc1(O))C(=NNC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1(NH3+))C
InChI=1SC22H22N8O4Sc1124715(8512)35111619(252930(16)2120(23)27342821)22(32)262413(2)146917(31)18(1014)333h41031H11H213H3(H22327)(H2632)b2413+
MFCD05685908
ZINC000009480121
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