Vitas-M small molecule compound
propan-2-yl 1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-1,2,3,8a-tetrahydroindolizine-3-carboxylate
Catalog ID
STL325327
SMILES N#CC1(C(=O)N)C2C=CC(=CN2C(C1c1ccccc1C(F)(F)F)C(=O)OC(C)C)C(=O)N
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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 C22H21F3N4O4 MW 462.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F3N4O4/c1-11(2)33-19(31)17-16(13-5-3-4-6-14(13)22(23,24)25)21(10-26,20(28)32)15-8-7-12(18(27)30)9-29(15)17/h3-9,11,15-17H,1-2H3,(H2,27,30)(H2,28,32)InChIKey
GHQFWLOSZZWTAP-UHFFFAOYSA-NSynonyms
(1R2R3R8aS)isopropyl16dicarbamoyl1cyano2(2(trifluoromethyl)phenyl)1238atetrahydroindolizine3carboxylate
CC(C)OC(=O)C1C(C(C2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC=CC=C3C(F)(F)F
InChI=1SC22H21F3N4O4c111(2)3319(31)1716(13534614(13)22(2324)25)21(102620(28)32)158712(18(27)30)929(15)17h39111517H12H3(H22730)(H22832)
MFCD28030843
N#C(C@)1(C(=O)N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccccc1C(F)(F)F)C(=O)OC(C)C)C(=O)N
propan2yl16dicarbamoyl1cyano2(2(trifluoromethyl)phenyl)1238atetrahydroindolizine3carboxylate
PROPAN2YL16DICARBAMOYL1CYANO2(2(TRIFLUOROMETHYL)PHENYL)38ADIHYDRO2HINDOLIZINE3CARBOXYLATE
ZINC000016034504
ZINC000108519862
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