Vitas-M small molecule compound
ethyl 6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STL322420
SMILES CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1ccc(cc1)F)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 C21H20FN3O4 MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O4/c1-3-29-20(28)21(11-23)16-9-6-14(12(2)26)10-25(16)18(19(24)27)17(21)13-4-7-15(22)8-5-13/h4-10,16-18H,3H2,1-2H3,(H2,24,27)InChIKey
KVTLKEMIWHFCJK-UHFFFAOYSA-NSynonyms
(1S2R3R8aS)ethyl6acetyl3carbamoyl1cyano2(4fluorophenyl)1238atetrahydroindolizine1carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(cc1)F)C(=O)N)C(=O)C
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=C(C=C3)F)C(=O)N)C(=O)C)C#N
ethyl6acetyl3carbamoyl1cyano2(4fluorophenyl)1238atetrahydroindolizine1carboxylate
ETHYL6ACETYL3CARBAMOYL1CYANO2(4FLUOROPHENYL)38ADIHYDRO2HINDOLIZINE1CARBOXYLATE
InChI=1SC21H20FN3O4c132920(28)21(1123)169614(12(2)26)1025(16)18(19(24)27)17(21)134715(22)8513h4101618H3H212H3(H22427)
MFCD28029675
ZINC000002257270
ZINC000245310987
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