Vitas-M small molecule compound

methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate

Catalog ID
STL321576
SMILES COC(=O)c1ccc(cc1)N1C2=C(CCCC2)C(C2=C1CCCC2)c1ccccc1

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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 C27H29NO2 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO2/c1-30-27(29)20-15-17-21(18-16-20)28-24-13-7-5-11-22(24)26(19-9-3-2-4-10-19)23-12-6-8-14-25(23)28/h2-4,9-10,15-18,26H,5-8,11-14H2,1H3
InChIKey
TUTDGPGTQCAMBK-UHFFFAOYSA-N
Synonyms
53971-55-4
53971554
COC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(C4=C2CCCC4)C5=CC=CC=C5
InChI=1SC27H29NO2c13027(29)20151721(181620)282413751122(24)26(1993241019)2312681425(23)28h24910151826H581114H21H3
methyl4(9phenyl12345678octahydroacridin10(9H)yl)benzoate
methyl4(9phenyl23456789octahydro1Hacridin10yl)benzoate
methyl4(9phenyl23456789octahydroacridin10(1H)yl)benzoate
ZINC02279301
ZINC2279301

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Available files

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