Vitas-M small molecule compound

methyl 4-[(6R,6aS,9aR)-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinolin-6-yl]benzoate

Catalog ID
STL280628
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)ccc1c2cccc1

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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 C24H21NO2 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO2/c1-27-24(26)17-11-9-16(10-12-17)22-20-8-4-7-19(20)21-14-13-15-5-2-3-6-18(15)23(21)25-22/h2-7,9-14,19-20,22,25H,8H2,1H3/t19-,20+,22+/m1/s1
InChIKey
AUYZUYKXLPVXBH-URVUXULASA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C2C3CC=CC3C4=C(N2)C5=CC=CC=C5C=C4
COC(=O)c1ccc(cc1)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)ccc1c2cccc1
InChI=1SC24H21NO2c12724(26)1711916(101217)222084719(20)21141315523618(15)23(21)2522h2791419202225H8H21H3t1920+22+m1s1
methyl4((6R6aS9aR)66a79atetrahydro5Hbenzo(h)cyclopenta(c)quinolin6yl)benzoate
MFCD09992439
ZINC000005244609
ZINC05244609
ZINC5244609

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.