Vitas-M small molecule compound

N-(2-{5-[(3,4-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methylbenzamide

Catalog ID
STL139268
SMILES CCn1c(CCNC(=O)c2ccc(cc2)C)nnc1SCc1ccc(c(c1)Cl)Cl

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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 C21H22Cl2N4OS MW 449.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl2N4OS/c1-3-27-19(10-11-24-20(28)16-7-4-14(2)5-8-16)25-26-21(27)29-13-15-6-9-17(22)18(23)12-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,28)
InChIKey
CUAQSHUZDQUXDS-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=C(C=C3)C
InChI=1SC21H22Cl2N4OSc132719(10112420(28)167414(2)5816)252621(27)2913156917(22)18(23)1215h4912H3101113H212H3(H2428)
MFCD05111920
N(2(5((34dichlorobenzyl)sulfanyl)4ethyl4H124triazol3yl)ethyl)4methylbenzamide
N(2(5((34DICHLOROBENZYL)THIO)4ETHYL4H124TRIAZOL3YL)ETHYL)4METHYLBENZAMIDE
N(2(5((34DICHLOROPHENYL)METHYLSULFANYL)4ETHYL124TRIAZOL3YL)ETHYL)4METHYLBENZAMIDE
ZINC000002860565
ZINC02860565
ZINC2860565

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Available files

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