Vitas-M small molecule compound
ethyl 6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STL058917
SMILES CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1ccc(c(c1)Cl)Cl)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 C21H19Cl2N3O4 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3O4/c1-3-30-20(29)21(10-24)16-7-5-13(11(2)27)9-26(16)18(19(25)28)17(21)12-4-6-14(22)15(23)8-12/h4-9,16-18H,3H2,1-2H3,(H2,25,28)InChIKey
SHYFJMRMOTUTMX-UHFFFAOYSA-NSynonyms
(1S2R3R8aS)ethyl6acetyl3carbamoyl1cyano2(34dichlorophenyl)1238atetrahydroindolizine1carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)(C1c1ccc(c(c1)Cl)Cl)C(=O)N)C(=O)C
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)N)C(=O)C)C#N
ethyl6acetyl3carbamoyl1cyano2(34dichlorophenyl)1238atetrahydroindolizine1carboxylate
ETHYL6ACETYL3CARBAMOYL1CYANO2(34DICHLOROPHENYL)38ADIHYDRO2HINDOLIZINE1CARBOXYLATE
InChI=1SC21H19Cl2N3O4c133020(29)21(1024)167513(11(2)27)926(16)18(19(25)28)17(21)124614(22)15(23)812h491618H3H212H3(H22528)
MFCD18193128
ZINC000043701744
ZINC000245247233
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