Vitas-M small molecule compound
ethyl (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-2-(4-chlorophenyl)-1-cyano-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK790748
SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)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 C21H20ClN3O4 MW 413.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4/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)/t16-,17-,18+,21+/m0/s1InChIKey
QCTFIXFBDUJKOL-LXGFNABISA-NSynonyms
302925-26-4(1S2R3R8aS)ethyl6acetyl3carbamoyl2(4chlorophenyl)1cyano1238atetrahydroindolizine1carboxylate
302925264
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(cc1)Cl)C(=O)N)C(=O)C
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=C(C=C3)Cl)C(=O)N)C(=O)C)C#N
ethyl(1S2R3R8aS)6acetyl3carbamoyl2(4chlorophenyl)1cyano1238atetrahydroindolizine1carboxylate
ethyl(1S2R3R8aS)6acetyl3carbamoyl2(4chlorophenyl)1cyano38adihydro2Hindolizine1carboxylate
InChI=1SC21H20ClN3O4c132920(28)21(1123)169614(12(2)26)1025(16)18(19(24)27)17(21)134715(22)8513h4101618H3H212H3(H22427)t161718+21+m0s1
MFCD13372442
ZINC000004772156
ZINC04772156
ZINC4772156
Check stock
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