Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STK553125
SMILES O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1ccccc1
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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 C31H28N2O3 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O3/c1-30(2,3)28(35)26-25(27(34)20-12-5-4-6-13-20)31(21-14-8-9-15-22(21)32-29(31)36)24-18-17-19-11-7-10-16-23(19)33(24)26/h4-18,24-26H,1-3H3,(H,32,36)/t24-,25+,26+,31-/m1/s1InChIKey
LVLYEPAAFQPDFO-SQRAXXTESA-NSynonyms
1212483-10-7(1S2S3R3aR)1(22dimethylpropanoyl)2(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2benzoyl1(22dimethylpropanoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)2benzoyl1pivaloyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1212483107
CC(C)(C)C(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C5=CC=CC=C5NC2=O)C(=O)C6=CC=CC=C6
InChI=1SC31H28N2O3c130(23)28(35)2625(27(34)20125461320)31(2114891522(21)3229(31)36)24181719117101623(19)33(24)26h4182426H13H3(H3236)t2425+26+31m1s1
MFCD18242694
O=C((C@@H)1(C@H)(N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1ccccc1
ZINC000009009643
ZINC09009643
ZINC9009643
Check stock
See real-time availability and sample size for STK553125 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.