Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-chloro-2'-(2,5-dimethoxyphenyl)-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
STK589516
SMILES COc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2Cl)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 C24H22ClN3O5 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5/c1-32-12-8-9-17(33-2)16(11-12)28-21(29)18-15-7-4-10-27(15)24(19(18)22(28)30)13-5-3-6-14(25)20(13)26-23(24)31/h3,5-6,8-9,11,15,18-19H,4,7,10H2,1-2H3,(H,26,31)/t15-,18+,19-,24+/m0/s1
InChIKey
NQPPNCGOAXANMW-UNKHORCTSA-N
Synonyms
1013871-87-8
(3S3aR8aS8bS)7chloro2(25dimethoxyphenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7chloro2(25dimethoxyphenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7chloro2(25dimethoxyphenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013871878
COC1=CC(=C(C=C1)OC)N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C(=CC=C6)Cl)NC5=O
COc1ccc(c(c1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2Cl)OC
InChI=1SC24H22ClN3O5c132128917(332)16(1112)2821(29)1815741027(15)24(19(18)22(28)30)1353614(25)20(13)2623(24)31h3568911151819H4710H212H3(H2631)t1518+1924+m0s1
MFCD18245860
ZINC000035851669
ZINC35851669

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Available files

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