Vitas-M small molecule compound
ethyl (3aS,4R,9bR)-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Catalog ID
STL221979
SMILES CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)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 C22H23NO2 MW 333.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO2/c1-3-25-22(24)16-11-12-20-19(13-16)17-5-4-6-18(17)21(23-20)15-9-7-14(2)8-10-15/h4-5,7-13,17-18,21,23H,3,6H2,1-2H3/t17-,18+,21+/m1/s1InChIKey
IXWGTQAZOIAHLF-LQWHRVPQSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC=C(C=C4)C
CCOC(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)C
ethyl(3aS4R9bR)4(4methylphenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylate
InChI=1SC22H23NO2c132522(24)1611122019(1316)1754618(17)21(2320)159714(2)81015h4571317182123H36H212H3t1718+21+m1s1
MFCD24857528
ZINC000004140422
ZINC04140422
ZINC4140422
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