Vitas-M small molecule compound
4-[(3S,3a'R,8a'S,8b'S)-5-bromo-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl]phenyl acetate
Catalog ID
STL537677
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Br)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 C24H20BrN3O5 MW 510.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN3O5/c1-12(29)33-15-7-5-14(6-8-15)28-21(30)19-18-3-2-10-27(18)24(20(19)22(28)31)16-11-13(25)4-9-17(16)26-23(24)32/h4-9,11,18-20H,2-3,10H2,1H3,(H,26,32)/t18-,19+,20-,24+/m0/s1InChIKey
ACKCYGFTOUKEJR-CMCWBKRRSA-NSynonyms
956944-22-2(4((3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))5bromo123trioxospiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)2yl)phenyl)acetate
16399396
4((3S3aR8aS8bS)5bromo123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)phenylacetate
4((3S3aR8aS8bS)5bromo123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)phenylacetate
956944222
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(Br)cc2
InChI=1SC24H20BrN3O5c112(29)33157514(6815)2821(30)1918321027(18)24(20(19)22(28)31)161113(25)4917(16)2623(24)32h49111820H2310H21H3(H2632)t1819+2024+m0s1
MFCD04143383
ZINC000033749071
ZINC33749071
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.