Vitas-M small molecule compound
butan-2-yl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407709
SMILES CCC(OC(=O)C1=C(C)N[C@@]2(C[C@H]1c1ccccc1O2)C)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/c1-5-11(2)21-17(20)16-12(3)19-18(4)10-14(16)13-8-6-7-9-15(13)22-18/h6-9,11,14,19H,5,10H2,1-4H3/t11?,14-,18-/m0/s1InChIKey
ZFGFDHPEVCPSTI-QVBNCMMJSA-NSynonyms
butan2yl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
CCC(C)OC(=O)C1=C(NC2(CC1C3=CC=CC=C3O2)C)C
CCC(OC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C)C
InChI=1SC18H23NO3c1511(2)2117(20)1612(3)1918(4)1014(16)13867915(13)2218h69111419H510H214H3t11?1418m0s1
MFCD08133423
ZINC000020375195
ZINC000020375198
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