Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-3-hydroxyphenolate
Catalog ID
STL045540
SMILES COc1ccc(cc1)n1c(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 C28H29N5O4S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S/c1-28(2,3)20-8-5-18(6-9-20)26-31-32-27(33(26)21-10-13-23(37-4)14-11-21)38-17-25(36)30-29-16-19-7-12-22(34)15-24(19)35/h5-16,34-35H,17H2,1-4H3,(H,30,36)/b29-16+InChIKey
KRWGNBAEYMGLRU-MUFRIFMGSA-NSynonyms
497866-75-84((E)(2(((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)3hydroxyphenolate
497866758
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2O)(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03220075
ZINC000002346119
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