Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidinium-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Catalog ID
STL148870
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C[NH+]2CCCCC2)c2nonc2N)ccc1[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 C19H23N9O4 MW 441.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N9O4/c1-31-15-9-12(5-6-14(15)29)10-21-23-19(30)16-13(11-27-7-3-2-4-8-27)28(26-22-16)18-17(20)24-32-25-18/h5-6,9-10,29H,2-4,7-8,11H2,1H3,(H2,20,24)(H,23,30)/b21-10+InChIKey
LSAULPLKFXBZER-UFFVCSGVSA-NSynonyms
500196-43-04((E)((1(4amino125oxadiazol3yl)5(piperidin1ium1ylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4amino125oxadiazol3yl)5(piperidinium1ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
500196430
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(NH+)4CCCCC4)(O)
COc1cc(C=NNC(=O)c2nnn(c2C(NH+)2CCCCC2)c2nonc2N)ccc1(O)
InChI=1SC19H23N9O4c13115912(5614(15)29)10212319(30)1613(11277324827)28(262216)1817(20)24322518h5691029H247811H21H3(H22024)(H2330)b2110+
MFCD01210100
ZINC000001745260
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