Vitas-M small molecule compound

2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)acetamide

Catalog ID
STK498081
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)Nc1ccc(cc1C)F

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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 C20H21FN4O2S MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN4O2S/c1-4-25-19(14-5-8-16(27-3)9-6-14)23-24-20(25)28-12-18(26)22-17-10-7-15(21)11-13(17)2/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey
GZOGRKSAUWPSSN-UHFFFAOYSA-N
Synonyms

2((4ethyl5(4methoxyphenyl)124triazol3yl)sulfanyl)N(4fluoro2methylphenyl)acetamide
2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)N(4fluoro2methylphenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)C)C3=CC=C(C=C3)OC
InChI=1SC20H21FN4O2Sc142519(145816(273)9614)232420(25)281218(26)221710715(21)1113(17)2h511H412H213H3(H2226)
MFCD11855252
ZINC000032579522
ZINC32579522

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.