Vitas-M small molecule compound

(2'S,3R,7a'S)-N-(2,5-dimethoxyphenyl)-5-fluoro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide

Catalog ID
STK582706
SMILES COc1ccc(cc1NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(F)cc1)CCC2)OC

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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 C23H24FN3O4 MW 425.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24FN3O4/c1-30-15-6-8-20(31-2)19(12-15)25-21(28)17-11-14-4-3-9-27(14)23(17)16-10-13(24)5-7-18(16)26-22(23)29/h5-8,10,12,14,17H,3-4,9,11H2,1-2H3,(H,25,28)(H,26,29)/t14-,17+,23-/m0/s1
InChIKey
WOUAGUDTSZIBLI-KNUWZQJKSA-N
Synonyms
1014022-79-7
(2S3R7aS)N(25dimethoxyphenyl)5fluoro2oxo11225677aoctahydrospiro(indole33pyrrolizine)2carboxamide
(2S3R7aS)N(25dimethoxyphenyl)5fluoro2oxo125677ahexahydrospiro(indoline33pyrrolizine)2carboxamide
(2S3R8S)N(25dimethoxyphenyl)5fluoro2oxospiro(125678hexahydropyrrolizine331Hindole)2carboxamide
1014022797
COC1=CC(=C(C=C1)OC)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)OC
InChI=1SC23H24FN3O4c130156820(312)19(1215)2521(28)17111443927(14)23(17)161013(24)5718(16)2622(23)29h5810121417H34911H212H3(H2528)(H2629)t1417+23m0s1
MFCD08284537
ZINC000057110799
ZINC57110799

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Available files

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