Vitas-M small molecule compound

3-[5-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide

Catalog ID
STK231282
SMILES CCn1c(CCC(=O)Nc2ccc(cc2)F)nnc1SCC(=O)Nc1ccc(cc1)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 C21H21ClFN5O2S MW 461.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN5O2S/c1-2-28-18(11-12-19(29)24-17-9-5-15(23)6-10-17)26-27-21(28)31-13-20(30)25-16-7-3-14(22)4-8-16/h3-10H,2,11-13H2,1H3,(H,24,29)(H,25,30)
InChIKey
JCFBOOMUZXVPEK-UHFFFAOYSA-N
Synonyms

3(5((2((4chlorophenyl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)N(4fluorophenyl)propanamide
3(5(2(4CHLOROANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)N(4FLUOROPHENYL)PROPANAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CCC(=O)NC3=CC=C(C=C3)F
InChI=1SC21H21ClFN5O2Sc122818(111219(29)24179515(23)61017)262721(28)311320(30)25167314(22)4816h310H21113H21H3(H2429)(H2530)
MFCD07358922
ZINC000009304309
ZINC09304309
ZINC9304309

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Available files

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