Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(2-bromophenyl)-6,7-dimethyl-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
STL536939
SMILES O=C1N(c2ccccc2Br)C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1ccc(c2C)C
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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 C24H22BrN3O3 MW 480.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O3/c1-12-9-10-14-20(13(12)2)26-23(31)24(14)19-18(17-8-5-11-27(17)24)21(29)28(22(19)30)16-7-4-3-6-15(16)25/h3-4,6-7,9-10,17-19H,5,8,11H2,1-2H3,(H,26,31)/t17-,18+,19-,24+/m0/s1InChIKey
MBOBHSQXDUDRQJ-UAKAABGRSA-NSynonyms
956990-47-9(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))2(2bromophenyl)67dimethylspiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)2(2bromophenyl)67dimethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2bromophenyl)67dimethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16400644
956990479
InChI=1SC24H22BrN3O3c1129101420(13(12)2)2623(31)24(14)1918(17851127(17)24)21(29)28(22(19)30)16743615(16)25h34679101719H5811H212H3(H2631)t1718+1924+m0s1
MFCD05671759
O=C1N(c2ccccc2Br)C(=O)(C@@H)2(C@H)1(C@@H)1CCCN1(C@)12C(=O)Nc2c1ccc(c2C)C
ZINC000016032538
ZINC16032538
Check stock
See real-time availability and sample size for STL536939 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.