Vitas-M small molecule compound
methyl (1R,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(2-fluorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK540839
SMILES COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1F)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 C20H18FN3O4 MW 383.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O4/c1-11(25)12-7-8-15-20(10-22,19(27)28-2)16(13-5-3-4-6-14(13)21)17(18(23)26)24(15)9-12/h3-9,15-17H,1-2H3,(H2,23,26)/t15-,16-,17+,20-/m0/s1InChIKey
SZQJHQXJAHYGIC-LJCCNALRSA-NSynonyms
448192-22-1(1R2S3R8aS)methyl6acetyl3carbamoyl1cyano2(2fluorophenyl)1238atetrahydroindolizine1carboxylate
448192221
CC(=O)C1=CN2C(C=C1)C(C(C2C(=O)N)C3=CC=CC=C3F)(C#N)C(=O)OC
COC(=O)(C@@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccccc1F)C(=O)N)C(=O)C
InChI=1SC20H18FN3O4c111(25)12781520(102219(27)282)16(13534614(13)21)17(18(23)26)24(15)912h391517H12H3(H22326)t151617+20m0s1
methyl(1R2S3R8aS)6acetyl3carbamoyl1cyano2(2fluorophenyl)1238atetrahydroindolizine1carboxylate
methyl(1R2S3R8aS)6acetyl3carbamoyl1cyano2(2fluorophenyl)38adihydro2Hindolizine1carboxylate
MFCD18241856
ZINC000004871668
ZINC04871668
ZINC4871668
Check stock
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Check stock on Vitas-MAvailable files
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