Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-3-hydroxyphenolate
Catalog ID
STK560043
SMILES CCn1c(SCC(=O)N/N=C/c2ccc(cc2O)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)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 C23H27N5O3S MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O3S/c1-5-28-21(15-6-9-17(10-7-15)23(2,3)4)26-27-22(28)32-14-20(31)25-24-13-16-8-11-18(29)12-19(16)30/h6-13,29-30H,5,14H2,1-4H3,(H,25,31)/b24-13+InChIKey
YRPPECXTGRDXBE-ZMOGYAJESA-NSynonyms
496799-57-64((E)(2(((5(4tertbutylphenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)3hydroxyphenolate
CCn1c(SCC(=O)NN=Cc2ccc(cc2O)(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03219141
ZINC000001474050
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