Vitas-M small molecule compound

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

Catalog ID
STK407713
SMILES CC1=C(C(=O)OCC2CCCCC2)[C@H]2C[C@](N1)(C)Oc1c2cccc1

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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 C21H27NO3 MW 341.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO3/c1-14-19(20(23)24-13-15-8-4-3-5-9-15)17-12-21(2,22-14)25-18-11-7-6-10-16(17)18/h6-7,10-11,15,17,22H,3-5,8-9,12-13H2,1-2H3/t17-,21-/m0/s1
InChIKey
ONMLSLZLTMJBPU-UWJYYQICSA-N
Synonyms

CC1=C(C(=O)OCC2CCCCC2)(C@H)2C(C@)(N1)(C)Oc1c2cccc1
CC1=C(C2CC(N1)(OC3=CC=CC=C23)C)C(=O)OCC4CCCCC4
cyclohexylmethyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
InChI=1SC21H27NO3c11419(20(23)2413158435915)171221(22214)251811761016(17)18h671011151722H35891213H212H3t1721m0s1
MFCD13368864
ZINC000020375210
ZINC20375210

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Available files

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