Vitas-M small molecule compound
(2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Catalog ID
STK612022
SMILES COc1ccc(cc1NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(F)cc1)CCC2)Cl
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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 C22H21ClFN3O3 MW 429.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN3O3/c1-30-19-7-4-12(23)9-18(19)25-20(28)16-11-14-3-2-8-27(14)22(16)15-10-13(24)5-6-17(15)26-21(22)29/h4-7,9-10,14,16H,2-3,8,11H2,1H3,(H,25,28)(H,26,29)/t14-,16+,22-/m0/s1InChIKey
IYERFPXIFJOEGP-PGKMIFDNSA-NSynonyms
1315570-14-9(2S3R7aS)N(5chloro2methoxyphenyl)5fluoro2oxo11225677aoctahydrospiro(indole33pyrrolizine)2carboxamide
(2S3R7aS)N(5chloro2methoxyphenyl)5fluoro2oxo125677ahexahydrospiro(indoline33pyrrolizine)2carboxamide
(2S3R8S)N(5chloro2methoxyphenyl)5fluoro2oxospiro(125678hexahydropyrrolizine331Hindole)2carboxamide
1315570149
COC1=C(C=C(C=C1)Cl)NC(=O)C2CC3CCCN3C24C5=C(C=CC(=C5)F)NC4=O
COc1ccc(cc1NC(=O)(C@H)1C(C@H)2N((C@@)31C(=O)Nc1c3cc(F)cc1)CCC2)Cl
InChI=1SC22H21ClFN3O3c130197412(23)918(19)2520(28)16111432827(14)22(16)151013(24)5617(15)2621(22)29h479101416H23811H21H3(H2528)(H2629)t1416+22m0s1
MFCD08284759
ZINC000057142623
ZINC57142623
Check stock
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Check stock on Vitas-MAvailable files
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