Vitas-M small molecule compound

2-fluoro-N-[2-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide

Catalog ID
STK497561
SMILES Fc1ccc(cc1)C(=O)CSc1nnc(n1C)CCNC(=O)c1ccccc1F

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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 C20H18F2N4O2S MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F2N4O2S/c1-26-18(10-11-23-19(28)15-4-2-3-5-16(15)22)24-25-20(26)29-12-17(27)13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,23,28)
InChIKey
LLCBHKCOGCOYCV-UHFFFAOYSA-N
Synonyms

2fluoroN(2(5((2(4fluorophenyl)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)benzamide
2fluoroN(2(5(2(4fluorophenyl)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)benzamide
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CCNC(=O)C3=CC=CC=C3F
InChI=1SC20H18F2N4O2Sc12618(10112319(28)15423516(15)22)242520(26)291217(27)136814(21)9713h29H1012H21H3(H2328)
MFCD11854949
ZINC000032579305
ZINC32579305

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Available files

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