Vitas-M small molecule compound

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

Catalog ID
STK186856
SMILES C=CCn1c(SCc2ccc(c(c2)Cl)Cl)nnc1C(NC(=O)c1ccccc1F)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 C21H19Cl2FN4OS MW 465.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2FN4OS/c1-3-10-28-19(13(2)25-20(29)15-6-4-5-7-18(15)24)26-27-21(28)30-12-14-8-9-16(22)17(23)11-14/h3-9,11,13H,1,10,12H2,2H3,(H,25,29)
InChIKey
SEZHNYWSWHPOFD-UHFFFAOYSA-N
Synonyms

CC(C1=NN=C(N1CC=C)SCC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3F
InChI=1SC21H19Cl2FN4OSc13102819(13(2)2520(29)15645718(15)24)262721(28)3012148916(22)17(23)1114h391113H11012H22H3(H2529)
MFCD06006722
N((1R)1(5((34DICHLOROBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5((34DICHLOROBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5((34DICHLOROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000002878143
ZINC000009262585

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Available files

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