Vitas-M small molecule compound
ethyl (1R,2R,3R,8aS)-3-acetyl-6-carbamoyl-1-cyano-2-(pyridin-3-yl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK000072
SMILES CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccnc1)C(=O)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 C20H20N4O4 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4/c1-3-28-19(27)20(11-21)15-7-6-14(18(22)26)10-24(15)17(12(2)25)16(20)13-5-4-8-23-9-13/h4-10,15-17H,3H2,1-2H3,(H2,22,26)/t15-,16-,17-,20-/m0/s1InChIKey
KJNGNSJYMSINNA-BOSXTWCSSA-NSynonyms
303966-88-3(1R2R3R8aS)ethyl3acetyl6carbamoyl1cyano2(pyridin3yl)1238atetrahydroindolizine1carboxylate
303966883
CCOC(=O)(C@@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1cccnc1)C(=O)C)C(=O)N
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CN=CC=C3)C(=O)C)C(=O)N)C#N
ethyl(1R2R3R8aS)3acetyl6carbamoyl1cyano2(pyridin3yl)1238atetrahydroindolizine1carboxylate
ethyl(1R2R3R8aS)3acetyl6carbamoyl1cyano2pyridin3yl38adihydro2Hindolizine1carboxylate
InChI=1SC20H20N4O4c132819(27)20(1121)157614(18(22)26)1024(15)17(12(2)25)16(20)1354823913h4101517H3H212H3(H22226)t15161720m0s1
MFCD13368263
STK000072
ZINC000004793451
ZINC04793451
ZINC4793451
Check stock
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Check stock on Vitas-MAvailable files
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