Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL045057
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2[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 C23H27N5O2S MW 437.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O2S/c1-5-28-21(16-10-12-18(13-11-16)23(2,3)4)26-27-22(28)31-15-20(30)25-24-14-17-8-6-7-9-19(17)29/h6-14,29H,5,15H2,1-4H3,(H,25,30)/b24-14+InChIKey
OUTYNNWFSQAOTG-ZVHZXABRSA-NSynonyms
497821-97-32((E)(2(((5(4tertbutylphenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
497821973
CCn1c(SCC(=O)NN=Cc2ccccc2(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03219142
ZINC000001474052
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