Vitas-M small molecule compound
ethyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407706
SMILES CCOC(=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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-4-19-15(18)14-10(2)17-16(3)9-12(14)11-7-5-6-8-13(11)20-16/h5-8,12,17H,4,9H2,1-3H3/t12-,16-/m0/s1InChIKey
QMMIVPWPXRYUQF-LRDDRELGSA-NSynonyms
1212138-74-31212138743
CCOC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C
CCOC(=O)C1=C(NC2(CC1C3=CC=CC=C3O2)C)C
ethyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
InChI=1SC16H19NO3c141915(18)1410(2)1716(3)912(14)11756813(11)2016h581217H49H213H3t1216m0s1
MFCD08448717
ZINC000019938811
ZINC19938811
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