Vitas-M small molecule compound
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Catalog ID
STL362591
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)N/N=C(/c1cccc(c1)[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(15-8-10-18(31-3)11-9-15)24-25-21(26)32-13-19(28)23-22-14(2)16-6-5-7-17(12-16)27(29)30/h5-12H,4,13H2,1-3H3,(H,23,28)/b22-14+InChIKey
DEIYOTYOVCEVKY-HYARGMPZSA-NSynonyms
303102-92-3(E)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((4ethyl5(4methoxyphenyl)124triazol3yl)sulfanyl)N((E)1(3nitrophenyl)ethylideneamino)acetamide
2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)N((1E)1(3nitrophenyl)ethylidene)acetohydrazide
303102923
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1CC)SCC(=O)NN=C(c1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H22N6O4Sc142620(1581018(313)11915)242521(26)321319(28)232214(2)1665717(1216)27(29)30h512H413H213H3(H2328)b2214+
MFCD02675513
ZINC000009087169
ZINC28351149
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