Vitas-M small molecule compound

2-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-ethoxyphenolate

Catalog ID
STL147801
SMILES CCOc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1CC)c1ccc(cc1)Cl

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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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-3-27-20(14-8-10-16(22)11-9-14)25-26-21(27)31-13-18(28)24-23-12-15-6-5-7-17(19(15)29)30-4-2/h5-12,29H,3-4,13H2,1-2H3,(H,24,28)/b23-12+
InChIKey
BLMKZMFJCWSVEJ-FSJBWODESA-N
Synonyms
329908-25-0
2((E)(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6ethoxyphenolate
329908250
CCOc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1CC)c1ccc(cc1)Cl
MFCD02710316
ZINC000012467221

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Available files

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