Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenolate
Catalog ID
STL054738
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2C[NH+](C)C)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 C17H21N9O4 MW 415.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N9O4/c1-4-29-13-7-10(5-6-12(13)27)8-19-21-17(28)14-11(9-25(2)3)26(24-20-14)16-15(18)22-30-23-16/h5-8,27H,4,9H2,1-3H3,(H2,18,22)(H,21,28)/b19-8+InChIKey
ISHDBFMKOAESSY-UFWORHAWSA-NSynonyms
840479-53-0840479530
CCOc1cc(C=NNC(=O)c2nnn(c2C(NH+)(C)C)c2nonc2N)ccc1(O)
MFCD03339351
ZINC000001872614
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