Vitas-M small molecule compound
ethyl (1R,2R,3R,8aS)-3,6-dicarbamoyl-2-(3-chlorophenyl)-1-cyano-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK034794
SMILES CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(c1)Cl)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 C20H19ClN4O4 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O4/c1-2-29-19(28)20(10-22)14-7-6-12(17(23)26)9-25(14)16(18(24)27)15(20)11-4-3-5-13(21)8-11/h3-9,14-16H,2H2,1H3,(H2,23,26)(H2,24,27)/t14-,15-,16+,20-/m0/s1InChIKey
FYRLJUJGNGSBEC-MFCZKXCZSA-NSynonyms
303966-97-4(1R2R3R8aS)ethyl36dicarbamoyl2(3chlorophenyl)1cyano1238atetrahydroindolizine1carboxylate
303966974
CCOC(=O)(C@@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1cccc(c1)Cl)C(=O)N)C(=O)N
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC(=CC=C3)Cl)C(=O)N)C(=O)N)C#N
ethyl(1R2R3R8aS)36dicarbamoyl2(3chlorophenyl)1cyano1238atetrahydroindolizine1carboxylate
ETHYL(1R2R3R8AS)36DICARBAMOYL2(3CHLOROPHENYL)1CYANO38ADIHYDRO2HINDOLIZINE1CARBOXYLATE
InChI=1SC20H19ClN4O4c122919(28)20(1022)147612(17(23)26)925(14)16(18(24)27)15(20)1143513(21)811h391416H2H21H3(H22326)(H22427)t141516+20m0s1
MFCD13368322
STK034794
ZINC000004828307
ZINC04828307
ZINC4828307
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.