Vitas-M small molecule compound
2-[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
Catalog ID
STK245554
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)CC(=O)Nc2ccccc2F)sc2c1CCCC2
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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 C22H21FN6O2S2 MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6O2S2/c1-29-18(10-19(30)25-16-8-4-3-7-15(16)23)27-28-22(29)32-12-20(31)26-21-14(11-24)13-6-2-5-9-17(13)33-21/h3-4,7-8H,2,5-6,9-10,12H2,1H3,(H,25,30)(H,26,31)InChIKey
HGOFMBKDFJCTAH-UHFFFAOYSA-NSynonyms
2(5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(2fluorophenyl)acetamide
2(5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)N(2fluorophenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CC(=O)NC4=CC=CC=C4F
InChI=1SC22H21FN6O2S2c12918(1019(30)2516843715(16)23)272822(29)321220(31)262114(1124)13625917(13)3321h3478H25691012H21H3(H2530)(H2631)
MFCD08670155
ZINC000009306295
ZINC09306295
ZINC9306295
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