Vitas-M small molecule compound
4-bromo-2-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL046808
SMILES COc1cc(ccc1OC)c1n[nH+]c(n1CC)SCC(=O)N/N=C/c1cc(Br)ccc1[O-]
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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 C21H22BrN5O4S MW 520.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O4S/c1-4-27-20(13-5-8-17(30-2)18(10-13)31-3)25-26-21(27)32-12-19(29)24-23-11-14-9-15(22)6-7-16(14)28/h5-11,28H,4,12H2,1-3H3,(H,24,29)/b23-11+InChIKey
HLOSGIFFETUTFJ-FOKLQQMPSA-NSynonyms
497230-81-6497230816
4bromo2((E)(2(((5(34dimethoxyphenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
COc1cc(ccc1OC)c1n(nH+)c(n1CC)SCC(=O)NN=Cc1cc(Br)ccc1(O)
MFCD03218586
ZINC000001477893
Check stock
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