Vitas-M small molecule compound
5'-methyl-2'-[(4-pentylphenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STK569404
SMILES CCCCCc1ccc(cc1)C(=O)C1C(C(=O)c2ccccc2)N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)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 C39H36N2O3 MW 580.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36N2O3/c1-3-4-6-13-26-20-22-28(23-21-26)36(42)34-35(37(43)27-14-7-5-8-15-27)41-32-19-12-9-16-29(32)25(2)24-33(41)39(34)30-17-10-11-18-31(30)40-38(39)44/h5,7-12,14-24,33-35H,3-4,6,13H2,1-2H3,(H,40,44)InChIKey
GKEDSRMNCNPPAI-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)1benzoyl5methyl2(4pentylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1benzoyl5methyl2(4pentylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
5methyl2((4pentylphenyl)carbonyl)1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=C(C6=CC=CC=C63)C)C(=O)C7=CC=CC=C7
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C
InChI=1SC39H36N2O3c13461326202228(232126)36(42)3435(37(43)27147581527)4132191291629(32)25(2)2433(41)39(34)301710111831(30)4038(39)44h571214243335H34613H212H3(H4044)
MFCD05728212
ZINC000102557345
ZINC000245325610
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.