Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-chlorophenolate
Catalog ID
STL049907
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(Cl)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 C20H17ClN8O3S MW 484.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN8O3S/c1-11-2-5-14(6-3-11)33-10-15-17(24-28-29(15)19-18(22)26-32-27-19)20(31)25-23-9-12-8-13(21)4-7-16(12)30/h2-9,30H,10H2,1H3,(H2,22,26)(H,25,31)/b23-9+InChIKey
PIYLJZLNHXKFTL-NUGSKGIGSA-NSynonyms
862127-88-62((E)((1(4azaniumyl125oxadiazol3yl)5((4methylphenyl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
862127886
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C=CC(=C4)Cl)(O)
Cc1ccc(cc1)SCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Cl)ccc1(O)
InChI=1SC20H17ClN8O3Sc1112514(6311)33101517(242829(15)1918(22)26322719)20(31)2523912813(21)4716(12)30h2930H10H21H3(H22226)(H2531)b239+
MFCD05687479
ZINC000001876952
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