Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)butyl]phenolate
Catalog ID
STL055790
SMILES CCC/C(=N\NC(=O)c1nnn(c1CSc1ccc(cc1)C)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 C23H24N8O3S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N8O3S/c1-3-4-18(15-7-9-16(32)10-8-15)25-27-23(33)20-19(13-35-17-11-5-14(2)6-12-17)31(30-26-20)22-21(24)28-34-29-22/h5-12,32H,3-4,13H2,1-2H3,(H2,24,28)(H,27,33)/b25-18+InChIKey
BGEHKEYMSYEGJI-XIEYBQDHSA-NSynonyms
848995-32-44((1E)1(2((1(4ammonio125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)butyl)phenolate
4((E)N((1(4AZANIUMYL125OXADIAZOL3YL)5((4METHYLPHENYL)SULFANYLMETHYL)TRIAZOLE4CARBONYL)AMINO)CPROPYLCARBONIMIDOYL)PHENOLATE
848995324
CCCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2(NH3+))CSC3=CC=C(C=C3)C)C4=CC=C(C=C4)(O)
CCCC(=NNC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1(NH3+))c1ccc(cc1)(O)
InChI=1SC23H24N8O3Sc13418(157916(32)10815)252723(33)2019(13351711514(2)61217)31(302620)2221(24)28342922h51232H3413H212H3(H22428)(H2733)b2518+
MFCD05679395
ZINC000009234352
Check stock
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Check stock on Vitas-MAvailable files
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