Vitas-M small molecule compound
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL057065
SMILES CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])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 C17H14ClN5O3S MW 403.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O3S/c1-2-26-13-6-4-12(5-7-13)16-20-21-17(27)22(16)19-10-11-3-8-14(18)15(9-11)23(24)25/h3-10H,2H2,1H3,(H,21,27)/b19-10+InChIKey
ROZJSFYIZTWXDD-VXLYETTFSA-NSynonyms
497950-28-4497950284
CCOc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(c(c1)(N+)(=O)(O))Cl
MFCD05724633
ZINC000005671645
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