Vitas-M small molecule compound
heptyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407704
SMILES CCCCCCCOC(=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 C21H29NO3 MW 343.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO3/c1-4-5-6-7-10-13-24-20(23)19-15(2)22-21(3)14-17(19)16-11-8-9-12-18(16)25-21/h8-9,11-12,17,22H,4-7,10,13-14H2,1-3H3/t17-,21-/m0/s1InChIKey
NOLAFRQEZKFUOV-UWJYYQICSA-NSynonyms
CCCCCCCOC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C
CCCCCCCOC(=O)C1=C(NC2(CC1C3=CC=CC=C3O2)C)C
heptyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
InChI=1SC21H29NO3c1456710132420(23)1915(2)2221(3)1417(19)1611891218(16)2521h8911121722H47101314H213H3t1721m0s1
MFCD13368858
ZINC000102170310
ZINC102170310
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