Vitas-M small molecule compound
ethyl 3,6-dicarbamoyl-1-cyano-2-(3-iodophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK750479
SMILES CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1cccc(c1)I)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 C20H19IN4O4 MW 506.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19IN4O4/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)InChIKey
ZEQOOIMBIDRECL-UHFFFAOYSA-NSynonyms
(1S2R3R8aS)ethyl36dicarbamoyl1cyano2(3iodophenyl)1238atetrahydroindolizine1carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1cccc(c1)I)C(=O)N)C(=O)N
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC(=CC=C3)I)C(=O)N)C(=O)N)C#N
ethyl36dicarbamoyl1cyano2(3iodophenyl)1238atetrahydroindolizine1carboxylate
ETHYL36DICARBAMOYL1CYANO2(3IODOPHENYL)38ADIHYDRO2HINDOLIZINE1CARBOXYLATE
InChI=1SC20H19IN4O4c122919(28)20(1022)147612(17(23)26)925(14)16(18(24)27)15(20)1143513(21)811h391416H2H21H3(H22326)(H22427)
MFCD00486957
ZINC000001030483
ZINC000252394581
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