Vitas-M small molecule compound
4-[(1Z)-1-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenolate
Catalog ID
STK559829
SMILES O=C(N/N=C(\c1ccc(cc1)[O-])/C)CSc1n[nH+]c(s1)SCc1ccc(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 C20H20N4O2S3 MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S3/c1-13-3-5-15(6-4-13)11-27-19-23-24-20(29-19)28-12-18(26)22-21-14(2)16-7-9-17(25)10-8-16/h3-10,25H,11-12H2,1-2H3,(H,22,26)/b21-14-InChIKey
DXHWFMJFLIMDGR-STZFKDTASA-NSynonyms
488095-83-64((1Z)1(2(((5((4methylbenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
4((Z)CMETHYLN((2((5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL4IUM2YL)SULFANYL)ACETYL)AMINO)CARBONIMIDOYL)PHENOLATE
488095836
InChI=1SC20H20N4O2S3c1133515(6413)112719232420(2919)281218(26)222114(2)167917(25)10816h31025H1112H212H3(H2226)b2114
MFCD03288275
O=C(NN=C(c1ccc(cc1)(O))C)CSc1n(nH+)c(s1)SCc1ccc(cc1)C
ZINC000013563304
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