Vitas-M small molecule compound
methyl (1R,2R,3S,8aS)-6-acetyl-3-(2-amino-2-oxoethyl)-1-cyano-2-(4-methoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STL565812
SMILES COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)OC)CC(=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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-13(26)15-6-9-18-22(12-23,21(28)30-3)20(14-4-7-16(29-2)8-5-14)17(10-19(24)27)25(18)11-15/h4-9,11,17-18,20H,10H2,1-3H3,(H2,24,27)/t17-,18-,20-,22-/m0/s1InChIKey
FFNCCEPTDSCWGF-JEEBJRHZSA-NSynonyms
351465-51-5(1R2R3S8aS)methyl6acetyl3(2amino2oxoethyl)1cyano2(4methoxyphenyl)1238atetrahydroindolizine1carboxylate
21231407
351465515
COC(=O)(C@@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(cc1)OC)CC(=O)N)C(=O)C
InChI=1SC22H23N3O5c113(26)15691822(122321(28)303)20(144716(292)8514)17(1019(24)27)25(18)1115h4911171820H10H213H3(H22427)t17182022m0s1
methyl(1R2R3S8aS)6acetyl3(2amino2oxoethyl)1cyano2(4methoxyphenyl)1238atetrahydroindolizine1carboxylate
methyl(1R2R3S8aS)6acetyl3(2amino2oxoethyl)1cyano2(4methoxyphenyl)38adihydro2Hindolizine1carboxylate
MFCD31653237
ZINC000005631625
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Check stock on Vitas-MAvailable files
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