Vitas-M small molecule compound
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Catalog ID
STL362590
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C
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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 C21H22N6O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S/c1-4-26-20(16-7-11-18(31-3)12-8-16)24-25-21(26)32-13-19(28)23-22-14(2)15-5-9-17(10-6-15)27(29)30/h5-12H,4,13H2,1-3H3,(H,23,28)/b22-14+InChIKey
JUKMWTVWMSQKNU-HYARGMPZSA-NSynonyms
303102-91-2(Z)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)thio)N(1(4nitrophenyl)ethylidene)acetohydrazide
2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)1(4NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)N((1E)1(4nitrophenyl)ethylidene)acetohydrazide
303102912
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1CC)SCC(=O)NN=C(c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC21H22N6O4Sc142620(1671118(313)12816)242521(26)321319(28)232214(2)155917(10615)27(29)30h512H413H213H3(H2328)b2214+
MFCD02675512
ZINC000000864052
ZINC09380123
ZINC9380123
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