Vitas-M small molecule compound
N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL362588
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)N/N=C(/c1ccc(cc1)Br)\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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+InChIKey
NOQAALWRJWYBOP-OEAKJJBVSA-NSynonyms
303102-90-1(Z)N(1(4bromophenyl)ethylidene)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)thio)acetohydrazide
303102901
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1CC)SCC(=O)NN=C(c1ccc(cc1)Br)C
InChI=1SC21H22BrN5O2Sc142720(1671118(293)12816)252621(27)301319(28)242314(2)155917(22)10615h512H413H213H3(H2428)b2314+
MFCD02675511
N((1E)1(4bromophenyl)ethylidene)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)1(4BROMOPHENYL)ETHYLIDENEAMINO)2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000033915441
ZINC13581953
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