Vitas-M small molecule compound
2-[(5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK221830
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nnc(n1C)CC(=O)Nc1ccc(cc1)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 C23H28FN5O2S MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28FN5O2S/c1-29-19(9-20(30)25-18-4-2-17(24)3-5-18)27-28-22(29)32-13-21(31)26-23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,14-16H,6-13H2,1H3,(H,25,30)(H,26,31)InChIKey
CRGUVBDDMNFJLU-UHFFFAOYSA-NSynonyms
2((5(2((4fluorophenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)N(tricyclo(3311~37~)dec1yl)acetamide
2(5(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(4FLUOROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC(=O)NC5=CC=C(C=C5)F
InChI=1SC23H28FN5O2Sc12919(920(30)25184217(24)3518)272822(29)321321(31)26231014615(1123)816(714)1223h251416H613H21H3(H2530)(H2631)
MFCD07399357
ZINC000009263989
ZINC09263989
ZINC9263989
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