Vitas-M small molecule compound

pentyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate

Catalog ID
STK407714
SMILES CCCCCOC(=O)C1=C(C)N[C@@]2(C[C@H]1c1ccccc1O2)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 C19H25NO3 MW 315.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO3/c1-4-5-8-11-22-18(21)17-13(2)20-19(3)12-15(17)14-9-6-7-10-16(14)23-19/h6-7,9-10,15,20H,4-5,8,11-12H2,1-3H3/t15-,19-/m0/s1
InChIKey
SDMKHOWVSIWISF-KXBFYZLASA-N
Synonyms

CCCCCOC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C
CCCCCOC(=O)C1=C(NC2(CC1C3=CC=CC=C3O2)C)C
InChI=1SC19H25NO3c1458112218(21)1713(2)2019(3)1215(17)149671016(14)2319h679101520H4581112H213H3t1519m0s1
MFCD13368865
pentyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
ZINC000020375214
ZINC20375214

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Available files

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