| SpectraBase Spectrum ID |
BRokT0HIhgP |
| Name |
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-7-methoxy-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)- |
| CAS Registry Number |
111427-92-0 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H28N2O3S |
| InChI |
InChI=1S/C24H28N2O3S/c1-24(2,30-16-8-6-5-7-9-16)14-21-22-18(13-20(25-21)23(27)29-4)17-11-10-15(28-3)12-19(17)26-22/h5-12,20-21,25-26H,13-14H2,1-4H3/t20-,21-/m0/s1 |
| InChIKey |
UVZCYXNHYQLLIC-SFTDATJTSA-N |
| Molecular Weight |
424.559 g/mol |
| SMILES |
[nH]1c2cc(ccc2c2c1[C@@](N[C@@](C2)(C(=O)OC)[H])(CC(Sc1ccccc1)(C)C)[H])OC |
| SPLASH |
splash10-0002-0902200000-d0c86c0c36450c85c738 |
| Source of Spectrum |
F-44-368-19 |
| Synonyms |
endo-1-(2-methyl-2-phenylthioprop-1-yl)-3-(methoxycarbonyl)-7-methoxy-1,2,3,4-tetrahydro-.beta.-carboline
Methyl (1S,3S)-7-methoxy-1-[2-methyl-2-(phenylsulfanyl)propyl]-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate |
| Wiley ID |
1379316 |
![1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-7-methoxy-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-](/api/spectrum/BRokT0HIhgP/structure.png?h=300&w=458 "1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-7-methoxy-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-")
