Vitas-M small molecule compound
2-{(1E)-1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL150738
SMILES COc1cc(cc(c1OC)OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C(/c1ccccc1[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 C27H27N5O5S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S/c1-17(20-12-8-9-13-21(20)33)28-29-24(34)16-38-27-31-30-26(32(27)19-10-6-5-7-11-19)18-14-22(35-2)25(37-4)23(15-18)36-3/h5-15,33H,16H2,1-4H3,(H,29,34)/b28-17+InChIKey
SUNDDOCBKYMTAU-OGLMXYFKSA-NSynonyms
315184-37-32((1E)1(2(((4phenyl5(345trimethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
315184373
COc1cc(cc(c1OC)OC)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=C(c1ccccc1(O))C
MFCD02075185
ZINC000100951760
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