Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)butyl]phenolate
Catalog ID
STK570302
SMILES CCC/C(=N\NC(=O)c1nnn(c1c1ccc(cc1)OCCC)c1nonc1[NH3+])/c1ccc(cc1)[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 C24H26N8O4 MW 490.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N8O4/c1-3-5-19(15-6-10-17(33)11-7-15)26-28-24(34)20-21(16-8-12-18(13-9-16)35-14-4-2)32(31-27-20)23-22(25)29-36-30-23/h6-13,33H,3-5,14H2,1-2H3,(H2,25,29)(H,28,34)/b26-19+InChIKey
DOZHHNDNSKIHOM-LGUFXXKBSA-NSynonyms
850192-57-34((1E)1(2((1(4ammonio125oxadiazol3yl)5(4propoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)butyl)phenolate
4((E)N((1(4AZANIUMYL125OXADIAZOL3YL)5(4PROPOXYPHENYL)TRIAZOLE4CARBONYL)AMINO)CPROPYLCARBONIMIDOYL)PHENOLATE
850192573
CCCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2(NH3+))C3=CC=C(C=C3)OCCC)C4=CC=C(C=C4)(O)
CCCC(=NNC(=O)c1nnn(c1c1ccc(cc1)OCCC)c1nonc1(NH3+))c1ccc(cc1)(O)
InChI=1SC24H26N8O4c13519(1561017(33)11715)262824(34)2021(1681218(13916)351442)32(312720)2322(25)29363023h61333H3514H212H3(H22529)(H2834)b2619+
MFCD05690778
ZINC000009328825
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