Vitas-M small molecule compound

2-[(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]-6-methoxyphenolate

Catalog ID
STL046757
SMILES COc1cccc(c1[O-])/C=N/NC(=O)c1nnn(c1C[NH+]1CCCCC1)c1nonc1N

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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/c1-31-14-7-5-6-12(16(14)29)10-21-23-19(30)15-13(11-27-8-3-2-4-9-27)28(26-22-15)18-17(20)24-32-25-18/h5-7,10,29H,2-4,8-9,11H2,1H3,(H2,20,24)(H,23,30)/b21-10+
InChIKey
XIALGDIRCZSZPM-UFFVCSGVSA-N
Synonyms
326900-12-3
2((E)((1(4amino125oxadiazol3yl)5(piperidin1ium1ylmethyl)triazole4carbonyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2((1(4amino125oxadiazol3yl)5(piperidinium1ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenolate
326900123
COC1=CC=CC(=C1(O))C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(NH+)4CCCCC4
COc1cccc(c1(O))C=NNC(=O)c1nnn(c1C(NH+)1CCCCC1)c1nonc1N
InChI=1SC19H23N9O4c1311475612(16(14)29)10212319(30)1513(11278324927)28(262215)1817(20)24322518h571029H248911H21H3(H22024)(H2330)b2110+
MFCD01247055
ZINC000001879865

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Available files

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