Vitas-M small molecule compound
2-ethylbutyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407707
SMILES CCC(COC(=O)C1=C(C)N[C@@]2(C[C@H]1c1ccccc1O2)C)CC
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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 C20H27NO3 MW 329.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO3/c1-5-14(6-2)12-23-19(22)18-13(3)21-20(4)11-16(18)15-9-7-8-10-17(15)24-20/h7-10,14,16,21H,5-6,11-12H2,1-4H3/t16-,20-/m0/s1InChIKey
XDWKCJGFHARVLP-JXFKEZNVSA-NSynonyms
2ethylbutyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
CCC(CC)COC(=O)C1=C(NC2(CC1C3=CC=CC=C3O2)C)C
CCC(COC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C)CC
InChI=1SC20H27NO3c1514(62)122319(22)1813(3)2120(4)1116(18)159781017(15)2420h710141621H561112H214H3t1620m0s1
MFCD13368860
ZINC000020375187
ZINC20375187
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