Vitas-M small molecule compound

2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate

Catalog ID
STL048635
SMILES CCCc1c(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 C15H16N8O3 MW 356.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N8O3/c1-2-5-10-12(18-22-23(10)14-13(16)20-26-21-14)15(25)19-17-8-9-6-3-4-7-11(9)24/h3-4,6-8,24H,2,5H2,1H3,(H2,16,20)(H,19,25)/b17-8+
InChIKey
CGRLZWVJBVKBMW-CAOOACKPSA-N
Synonyms
862116-42-5
2((E)((1(4azaniumyl125oxadiazol3yl)5propyltriazole4carbonyl)hydrazinylidene)methyl)phenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
862116425
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC=CC=C3(O)
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccccc1(O)
InChI=1SC15H16N8O3c1251012(182223(10)1413(16)20262114)15(25)191789634711(9)24h346824H25H21H3(H21620)(H1925)b178+
MFCD05687061
ZINC000001876001

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Available files

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