Vitas-M small molecule compound
N'-[(1E)-1-(2-chlorophenyl)ethylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL362603
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)N/N=C(/c1ccccc1Cl)\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 C21H22ClN5O2S MW 443.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2S/c1-4-27-20(15-9-11-16(29-3)12-10-15)25-26-21(27)30-13-19(28)24-23-14(2)17-7-5-6-8-18(17)22/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+InChIKey
HUTLDTBCVXUTOB-OEAKJJBVSA-NSynonyms
(Z)N(1(2chlorophenyl)ethylidene)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)thio)acetohydrazide
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1CC)SCC(=O)NN=C(c1ccccc1Cl)C
InChI=1SC21H22ClN5O2Sc142720(1591116(293)121015)252621(27)301319(28)242314(2)17756818(17)22h512H413H213H3(H2428)b2314+
MFCD02675375
N((1E)1(2chlorophenyl)ethylidene)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)1(2chlorophenyl)ethylideneamino)2((4ethyl5(4methoxyphenyl)124triazol3yl)sulfanyl)acetamide
ZINC000019800818
ZINC13582256
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