Vitas-M small molecule compound
ethyl 6-acetyl-3-carbamoyl-1-cyano-2-(4-nitrophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STL321428
SMILES CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)N)C(=O)C
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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 C21H20N4O6 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6/c1-3-31-20(28)21(11-22)16-9-6-14(12(2)26)10-24(16)18(19(23)27)17(21)13-4-7-15(8-5-13)25(29)30/h4-10,16-18H,3H2,1-2H3,(H2,23,27)InChIKey
ARZXEJNEMADIMX-UHFFFAOYSA-NSynonyms
(1S2R3R8aS)ethyl6acetyl3carbamoyl1cyano2(4nitrophenyl)1238atetrahydroindolizine1carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(cc1)(N+)(=O)(O))C(=O)N)C(=O)C
CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)N)C(=O)C
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N)C(=O)C)C#N
ethyl6acetyl3carbamoyl1cyano2(4nitrophenyl)1238atetrahydroindolizine1carboxylate
ETHYL6ACETYL3CARBAMOYL1CYANO2(4NITROPHENYL)38ADIHYDRO2HINDOLIZINE1CARBOXYLATE
InChI=1SC21H20N4O6c133120(28)21(1122)169614(12(2)26)1024(16)18(19(23)27)17(21)134715(8513)25(29)30h4101618H3H212H3(H22327)
MFCD28029650
ZINC000002273581
ZINC000245309089
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.