Vitas-M small molecule compound
3-[(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]phenolate
Catalog ID
STL052385
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1)[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 C20H18N8O3S MW 450.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O3S/c1-12-5-7-15(8-6-12)32-11-16-17(23-27-28(16)19-18(21)25-31-26-19)20(30)24-22-10-13-3-2-4-14(29)9-13/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
IWRUZMARYHCWAI-LSHDLFTRSA-NSynonyms
862128-72-11(4AMINO125OXADIAZOL3YL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)5((4METHYLPHENYL)SULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
3((E)((1(4azaniumyl125oxadiazol3yl)5((4methylphenyl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
3((E)(2((1(4ammonio125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
862128721
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=CC(=CC=C4)(O)
Cc1ccc(cc1)SCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cccc(c1)(O)
InChI=1SC20H18N8O3Sc1125715(8612)32111617(232728(16)1918(21)25312619)20(30)2422101332414(29)913h21029H11H21H3(H22125)(H2430)b2210+
MFCD05687583
ZINC000001869062
ZINC33345656
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