Vitas-M small molecule compound
1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL053825
SMILES CCCCCc1ccc(cc1)C(=O)C1C(N2C(C31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)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 C37H40N2O3 MW 560.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40N2O3/c1-6-7-8-11-24-15-17-25(18-16-24)33(40)31-32(34(41)36(3,4)5)39-29-20-14-23(2)22-26(29)19-21-30(39)37(31)27-12-9-10-13-28(27)38-35(37)42/h9-10,12-22,30-32H,6-8,11H2,1-5H3,(H,38,42)InChIKey
PWNHKPOEKRXUKM-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)7methyl2(4pentylbenzoyl)1pivaloyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1(22dimethylpropanoyl)7methyl2((4pentylphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1(22dimethylpropanoyl)7methyl2(4pentylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=CC6=C3C=CC(=C6)C)C(=O)C(C)(C)C
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@H)(N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C
InChI=1SC37H40N2O3c16781124151725(181624)33(40)3132(34(41)36(34)5)3929201423(2)2226(29)192130(39)37(31)27129101328(27)3835(37)42h91012223032H6811H215H3(H3842)
MFCD05728372
ZINC000102893416
ZINC000245246860
Check stock
See real-time availability and sample size for STL053825 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.