Vitas-M small molecule compound

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

Catalog ID
STK251322
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1CC)CC(=O)Nc1ccccc1F

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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 C21H18FN5O2S MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O2S/c1-2-27-19(11-20(29)24-17-6-4-3-5-16(17)22)25-26-21(27)30-13-18(28)15-9-7-14(12-23)8-10-15/h3-10H,2,11,13H2,1H3,(H,24,29)
InChIKey
DYZMPBBGYQDGFT-UHFFFAOYSA-N
Synonyms

2(5((2(4CYANOPHENYL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
2(5(2(4cyanophenyl)2oxoethyl)sulfanyl4ethyl124triazol3yl)N(2fluorophenyl)acetamide
2(5(2(4CYANOPHENYL)2OXOETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)CC(=O)NC3=CC=CC=C3F
InChI=1SC21H18FN5O2Sc122719(1120(29)2417643516(17)22)252621(27)301318(28)159714(1223)81015h310H21113H21H3(H2429)
MFCD08670626
ZINC000009699210
ZINC09699210
ZINC9699210

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Available files

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