Vitas-M small molecule compound

2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-5-(diethylammonio)phenolate

Catalog ID
STL041889
SMILES COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1[O-])[NH+](CC)CC

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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 C23H25N9O4 MW 491.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N9O4/c1-4-31(5-2)16-10-9-15(18(33)12-16)13-25-27-23(34)19-20(14-7-6-8-17(11-14)35-3)32(30-26-19)22-21(24)28-36-29-22/h6-13,33H,4-5H2,1-3H3,(H2,24,28)(H,27,34)/b25-13+
InChIKey
MCNHWMRIZDCJHW-DHRITJCHSA-N
Synonyms
849007-65-4
2((E)((1(4amino125oxadiazol3yl)5(3methoxyphenyl)triazole4carbonyl)hydrazinylidene)methyl)5(diethylazaniumyl)phenolate
2((E)(2((1(4amino125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)5(diethylammonio)phenolate
849007654
CC(NH+)(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC(=CC=C4)OC)(O)
COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc(cc1(O))(NH+)(CC)CC
InChI=1SC23H25N9O4c1431(52)1610915(18(33)1216)13252723(34)1920(1476817(1114)353)32(302619)2221(24)28362922h61333H45H213H3(H22428)(H2734)b2513+
MFCD05680405
ZINC000001826055

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Available files

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