Vitas-M small molecule compound
4-[(1Z)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenyl benzoate
Catalog ID
STK552899
SMILES C/C(=N/NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/c1ccc(cc1)OC(=O)c1ccccc1
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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 C27H22N8O5 MW 538.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N8O5/c1-17(18-12-14-21(15-13-18)39-27(37)19-8-4-2-5-9-19)29-31-26(36)23-22(16-38-20-10-6-3-7-11-20)35(34-30-23)25-24(28)32-40-33-25/h2-15H,16H2,1H3,(H2,28,32)(H,31,36)/b29-17-InChIKey
XMBAWMXIYJMBCQ-RHANQZHGSA-NSynonyms
836633-49-9(4((Z)N((1(4AMINO125OXADIAZOL3YL)5(PHENOXYMETHYL)TRIAZOLE4CARBONYL)AMINO)CMETHYLCARBONIMIDOYL)PHENYL)BENZOATE
(Z)4(1(2(1(4amino125oxadiazol3yl)5(phenoxymethyl)1H123triazole4carbonyl)hydrazono)ethyl)phenylbenzoate
4((1Z)1(2((1(4amino125oxadiazol3yl)5(phenoxymethyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenylbenzoate
836633499
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5
CC(=NNC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)c1ccc(cc1)OC(=O)c1ccccc1
InChI=1SC27H22N8O5c117(18121421(151318)3927(37)198425919)293126(36)2322(163820106371120)35(343023)2524(28)32403325h215H16H21H3(H22832)(H3136)b2917
MFCD03689254
ZINC000101009862
ZINC102463349
Check stock
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Check stock on Vitas-MAvailable files
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