Vitas-M small molecule compound
(2-{(E)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Catalog ID
STL039928
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)[O-])[nH+]nc1c1ccc(cc1)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-3-27-21(16-10-8-15(2)9-11-16)25-26-22(27)32-14-19(28)24-23-12-17-6-4-5-7-18(17)31-13-20(29)30/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,29,30)/b23-12+InChIKey
IZLXFGCJQFSTJW-FSJBWODESA-NSynonyms
489443-75-6(2((2(4ETHYL5PTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)HYDRAZONOMETHYL)PHENOXY)ACETICACID
(2((E)(2(((4ethyl5(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
2(2((E)((2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
489443756
CCn1c(SCC(=O)NN=Cc2ccccc2OCC(=O)(O))(nH+)nc1c1ccc(cc1)C
InChI=1SC22H23N5O4Sc132721(1610815(2)91116)252622(27)321419(28)24231217645718(17)311320(29)30h412H31314H212H3(H2428)(H2930)b2312+
MFCD03297389
ZINC000008913922
ZINC12464839
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