Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Catalog ID
STL045177
SMILES C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1CC)c1ccc(cc1)Cl
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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 C22H22ClN5O2S MW 455.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2S/c1-3-6-15-7-5-8-17(20(15)30)13-24-25-19(29)14-31-22-27-26-21(28(22)4-2)16-9-11-18(23)12-10-16/h3,5,7-13,30H,1,4,6,14H2,2H3,(H,25,29)/b24-13+InChIKey
BUAWMYCUJIKXJI-ZMOGYAJESA-NSynonyms
489415-05-62((E)(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
489415056
C=CCc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1CC)c1ccc(cc1)Cl
MFCD02022313
ZINC000001473922
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