Vitas-M small molecule compound
ethyl (1S,2R,3R,8aS)-3,6-dicarbamoyl-1-cyano-2-(4-fluorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK526748
SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)F)C(=O)N)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 C20H19FN4O4 MW 398.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN4O4/c1-2-29-19(28)20(10-22)14-8-5-12(17(23)26)9-25(14)16(18(24)27)15(20)11-3-6-13(21)7-4-11/h3-9,14-16H,2H2,1H3,(H2,23,26)(H2,24,27)/t14-,15-,16+,20+/m0/s1InChIKey
PIJQBUHWCOSEBC-ZFCANOHDSA-NSynonyms
303013-52-7(1S2R3R8aS)ethyl36dicarbamoyl1cyano2(4fluorophenyl)1238atetrahydroindolizine1carboxylate
303013527
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(cc1)F)C(=O)N)C(=O)N
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=C(C=C3)F)C(=O)N)C(=O)N)C#N
ethyl(1S2R3R8aS)36dicarbamoyl1cyano2(4fluorophenyl)1238atetrahydroindolizine1carboxylate
ethyl(1S2R3R8aS)36dicarbamoyl1cyano2(4fluorophenyl)38adihydro2Hindolizine1carboxylate
InChI=1SC20H19FN4O4c122919(28)20(1022)148512(17(23)26)925(14)16(18(24)27)15(20)113613(21)7411h391416H2H21H3(H22326)(H22427)t141516+20+m0s1
MFCD18241565
ZINC000004790918
ZINC04790918
ZINC4790918
Check stock
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