Vitas-M small molecule compound
2-[(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]phenolate
Catalog ID
STK567167
SMILES CN(C1CCCCC1)Cc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccccc1[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 C20H25N9O3 MW 439.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N9O3/c1-28(14-8-3-2-4-9-14)12-15-17(23-27-29(15)19-18(21)25-32-26-19)20(31)24-22-11-13-7-5-6-10-16(13)30/h5-7,10-11,14,30H,2-4,8-9,12H2,1H3,(H2,21,25)(H,24,31)/b22-11+InChIKey
ICVXHANKWSMDRE-SSDVNMTOSA-NSynonyms
861139-68-62((E)((1(4azaniumyl125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
861139686
CN(C1CCCCC1)Cc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccccc1(O)
CN(CC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC=CC=C3(O))C4CCCCC4
InChI=1SC20H25N9O3c128(148324914)121517(232729(15)1918(21)25322619)20(31)242211137561016(13)30h5710111430H248912H21H3(H22125)(H2431)b2211+
MFCD05683847
ZINC000001854023
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