Vitas-M small molecule compound
2-(methylsulfanyl)ethyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407716
SMILES CSCCOC(=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 C17H21NO3S MW 319.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO3S/c1-11-15(16(19)20-8-9-22-3)13-10-17(2,18-11)21-14-7-5-4-6-12(13)14/h4-7,13,18H,8-10H2,1-3H3/t13-,17-/m0/s1InChIKey
SEUGCOBEYIIFCJ-GUYCJALGSA-NSynonyms
2(methylsulfanyl)ethyl(2S6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
CC1=C(C2CC(N1)(OC3=CC=CC=C23)C)C(=O)OCCSC
CSCCOC(=O)C1=C(C)N(C@@)2(C(C@H)1c1ccccc1O2)C
InChI=1SC17H21NO3Sc11115(16(19)2089223)131017(21811)2114754612(13)14h471318H810H213H3t1317m0s1
MFCD13368867
ZINC000020375223
ZINC20375223
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