Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Catalog ID
STK569970
SMILES CN(C1CCCCC1)Cc1c(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 C20H25N9O4 MW 455.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N9O4/c1-28(13-5-3-2-4-6-13)11-15-17(23-27-29(15)19-18(21)25-33-26-19)20(32)24-22-10-12-7-8-14(30)9-16(12)31/h7-10,13,30-31H,2-6,11H2,1H3,(H2,21,25)(H,24,32)/b22-10+InChIKey
JFLJLTAKGOBOLC-LSHDLFTRSA-NSynonyms
848999-66-64((E)(2((1(4ammonio125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)3hydroxyphenolate
848999666
CN(C1CCCCC1)Cc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(cc1O)(O)
MFCD05679733
ZINC000001893448
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