Vitas-M small molecule compound
2-{(1Z)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL047432
SMILES CCn1c(SCC(=O)N/N=C(\c2ccccc2[O-])/C)[nH+]nc1c1ccc(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 C20H20ClN5O2S MW 429.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O2S/c1-3-26-19(14-8-10-15(21)11-9-14)24-25-20(26)29-12-18(28)23-22-13(2)16-6-4-5-7-17(16)27/h4-11,27H,3,12H2,1-2H3,(H,23,28)/b22-13-InChIKey
ZNQCPSCFXYLCNH-XKZIYDEJSA-NSynonyms
488706-93-02((1Z)1(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
488706930
CCn1c(SCC(=O)NN=C(c2ccccc2(O))C)(nH+)nc1c1ccc(cc1)Cl
MFCD03290574
ZINC000000949926
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