Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenolate
Catalog ID
STK568627
SMILES COc1cccc(c1[O-])/C=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1[NH3+]
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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 C17H17N11O4S MW 471.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N11O4S/c1-27-8-20-23-17(27)33-7-10-12(21-26-28(10)15-14(18)24-32-25-15)16(30)22-19-6-9-4-3-5-11(31-2)13(9)29/h3-6,8,29H,7H2,1-2H3,(H2,18,24)(H,22,30)/b19-6+InChIKey
YOYRUVJEECQQBK-KPSZGOFPSA-NSynonyms
861116-20-32((E)((1(4azaniumyl125oxadiazol3yl)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenolate
861116203
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C(=CC=C4)OC)(O)
COc1cccc(c1(O))C=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1(NH3+)
InChI=1SC17H17N11O4Sc1278202317(27)3371012(212628(10)1514(18)24322515)16(30)22196943511(312)13(9)29h36829H7H212H3(H21824)(H2230)b196+
MFCD05682875
ZINC000009242526
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