Vitas-M small molecule compound

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

Catalog ID
STK407712
SMILES CCCCOC(=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 C18H23NO3 MW 301.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO3/c1-4-5-10-21-17(20)16-12(2)19-18(3)11-14(16)13-8-6-7-9-15(13)22-18/h6-9,14,19H,4-5,10-11H2,1-3H3/t14-,18-/m0/s1
InChIKey
SOXPJHBJBHXRPL-KSSFIOAISA-N
Synonyms

butyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
CCCCOC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C
CCCCOC(=O)C1=C(NC2(CC1C3=CC=CC=C3O2)C)C
InChI=1SC18H23NO3c145102117(20)1612(2)1918(3)1114(16)13867915(13)2218h691419H451011H213H3t1418m0s1
MFCD13368863
ZINC000020375206
ZINC20375206

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Available files

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