Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylammonio)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenolate
Catalog ID
STK560982
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C[NH+](CC)CC)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 C18H23N9O4 MW 429.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N9O4/c1-4-26(5-2)10-12-15(21-25-27(12)17-16(19)23-31-24-17)18(29)22-20-9-11-6-7-13(28)14(8-11)30-3/h6-9,28H,4-5,10H2,1-3H3,(H2,19,23)(H,22,29)/b20-9+InChIKey
PPTRNDBHFZGUQX-AWQFTUOYSA-NSynonyms
339320-70-64((E)((1(4amino125oxadiazol3yl)5((diethylazaniumyl)methyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4amino125oxadiazol3yl)5((diethylammonio)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
CC(NH+)(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)(O))OC
COc1cc(C=NNC(=O)c2nnn(c2C(NH+)(CC)CC)c2nonc2N)ccc1(O)
InChI=1SC18H23N9O4c1426(52)101215(212527(12)1716(19)23312417)18(29)22209116713(28)14(811)303h6928H4510H213H3(H21923)(H2229)b209+
MFCD00827276
ZINC000001789113
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