Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK102405
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2CC)c2ccc(cc2)Cl)ccc1OC

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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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-4-27-20(15-6-8-16(22)9-7-15)25-26-21(27)31-13-19(28)24-23-12-14-5-10-17(29-2)18(11-14)30-3/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-12+
InChIKey
UQEZDSXFBHLNQZ-FSJBWODESA-N
Synonyms
488086-35-7
(E)2((5(4chlorophenyl)4ethyl4H124triazol3yl)thio)N(34dimethoxybenzylidene)acetohydrazide
2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(34DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(34DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488086357
CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl
COc1cc(C=NNC(=O)CSc2nnc(n2CC)c2ccc(cc2)Cl)ccc1OC
InChI=1SC21H22ClN5O3Sc142720(156816(22)9715)252621(27)311319(28)2423121451017(292)18(1114)303h512H413H213H3(H2428)b2312+
MFCD02022302
N((1E)2(34DIMETHOXYPHENYL)1AZAVINYL)2(5(4CHLOROPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001248358
ZINC33330177

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Available files

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