Vitas-M small molecule compound

2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-chlorophenolate

Catalog ID
STK560139
SMILES Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1C[NH+]1CCOCC1)c1nonc1N)[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 C17H18ClN9O4 MW 447.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN9O4/c18-11-1-2-13(28)10(7-11)8-20-22-17(29)14-12(9-26-3-5-30-6-4-26)27(25-21-14)16-15(19)23-31-24-16/h1-2,7-8,28H,3-6,9H2,(H2,19,23)(H,22,29)/b20-8+
InChIKey
HDEMPPFBLDNMIH-DNTJNYDQSA-N
Synonyms
325990-48-5
2((E)((1(4amino125oxadiazol3yl)5(morpholin4ium4ylmethyl)triazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4amino125oxadiazol3yl)5(morpholin4ium4ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
C1COCC(NH+)1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC(=C4)Cl)(O)
Clc1ccc(c(c1)C=NNC(=O)c1nnn(c1C(NH+)1CCOCC1)c1nonc1N)(O)
InChI=1SC17H18ClN9O4c18111213(28)10(711)8202217(29)1412(92635306426)27(252114)1615(19)23312416h127828H369H2(H21923)(H2229)b208+
MFCD01346543
ZINC000020082134

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Available files

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