Vitas-M small molecule compound
4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL043554
SMILES CCn1c(SCC(=O)N/N=C(/c2ccc(cc2)[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(15-4-8-16(21)9-5-15)24-25-20(26)29-12-18(28)23-22-13(2)14-6-10-17(27)11-7-14/h4-11,27H,3,12H2,1-2H3,(H,23,28)/b22-13+InChIKey
QROFMSSOSZLMHD-LPYMAVHISA-NSynonyms
488708-24-34((1E)1(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
488708243
CCn1c(SCC(=O)NN=C(c2ccc(cc2)(O))C)(nH+)nc1c1ccc(cc1)Cl
MFCD03218778
ZINC000009019642
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