Vitas-M small molecule compound
3-[(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)ethyl]phenolate
Catalog ID
STL052853
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1cccc(c1)[O-])\C
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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 C21H20N8O3S MW 464.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O3S/c1-12-6-8-16(9-7-12)33-11-17-18(24-28-29(17)20-19(22)26-32-27-20)21(31)25-23-13(2)14-4-3-5-15(30)10-14/h3-10,30H,11H2,1-2H3,(H2,22,26)(H,25,31)/b23-13+InChIKey
FCFIZJRUYJTSLX-YDZHTSKRSA-NSynonyms
848931-21-51(4AMINO125OXADIAZOL3YL)N((E)1(3HYDROXYPHENYL)ETHYLIDENEAMINO)5((4METHYLPHENYL)SULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
3((1E)1(2((1(4ammonio125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
848931215
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC(=CC=C4)O
Cc1ccc(cc1)SCc1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1cccc(c1)(O))C
InChI=1SC21H20N8O3Sc1126816(9712)33111718(242829(17)2019(22)26322720)21(31)252313(2)1443515(30)1014h31030H11H212H3(H22226)(H2531)b2313+
MFCD05678268
ZINC000009233031
ZINC33527291
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