Vitas-M small molecule compound

5-fluoro-2'-(5-methoxy-2-methyl-4-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione

Catalog ID
STL236761
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(F)cc2

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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 C24H21FN4O6 MW 480.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN4O6/c1-11-8-17(29(33)34)18(35-2)10-16(11)28-21(30)19-15-4-3-7-27(15)24(20(19)22(28)31)13-9-12(25)5-6-14(13)26-23(24)32/h5-6,8-10,15,19-20H,3-4,7H2,1-2H3,(H,26,32)
InChIKey
QJMTVDYYNXWLHH-UHFFFAOYSA-N
Synonyms

(3S3aR8aS8bS)5fluoro2(5methoxy2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
5fluoro2(5methoxy2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
5fluoro2(5methoxy2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
CC1=CC(=C(C=C1N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)F)NC5=O)OC)(N+)(=O)(O)
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(F)cc2
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(F)cc2
InChI=1SC24H21FN4O6c111817(29(33)34)18(352)1016(11)2821(30)191543727(15)24(20(19)22(28)31)13912(25)5614(13)2623(24)32h56810151920H347H212H3(H2632)
MFCD07203364
ZINC000016010190
ZINC000248117925

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Available files

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