Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-chloro-2'-(4-methoxyphenyl)-7-methyl-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
STK574861
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C

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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 C24H22ClN3O4 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O4/c1-12-10-13(25)11-16-20(12)26-23(31)24(16)19-18(17-4-3-9-27(17)24)21(29)28(22(19)30)14-5-7-15(32-2)8-6-14/h5-8,10-11,17-19H,3-4,9H2,1-2H3,(H,26,31)/t17-,18+,19-,24+/m0/s1
InChIKey
LBERSECVYLVPHE-UAKAABGRSA-N
Synonyms
1014041-93-0
(3S3aR8aS8bS)5chloro2(4methoxyphenyl)7methyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5chloro2(4methoxyphenyl)7methyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5chloro2(4methoxyphenyl)7methylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014041930
CC1=C2C(=CC(=C1)Cl)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)OC)C(=O)N2
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(Cl)cc2C
InChI=1SC24H22ClN3O4c1121013(25)111620(12)2623(31)24(16)1918(1743927(17)24)21(29)28(22(19)30)145715(322)8614h5810111719H349H212H3(H2631)t1718+1924+m0s1
MFCD18245514
ZINC000035374733
ZINC35374733

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Available files

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