Vitas-M small molecule compound
3-{(1Z)-1-[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL046677
SMILES COc1ccc(cc1)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C(\c1cccc(c1)[O-])/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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-17(19-7-6-10-21(31)15-19)26-27-23(32)16-34-25-29-28-24(18-11-13-22(33-2)14-12-18)30(25)20-8-4-3-5-9-20/h3-15,31H,16H2,1-2H3,(H,27,32)/b26-17-InChIKey
VVASGYJZKYTZBF-ONUIUJJFSA-NSynonyms
497941-52-33((1Z)1(2(((5(4methoxyphenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
497941523
COc1ccc(cc1)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=C(c1cccc(c1)(O))C
MFCD03301297
ZINC000009016058
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