Vitas-M small molecule compound
ethyl 1-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}piperidine-4-carboxylate
Catalog ID
STK646415
SMILES CCOC(=O)C1CCN(CC1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC
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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 C20H29NO7S2 MW 459.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO7S2/c1-4-28-20(22)15-7-9-21(10-8-15)16-12-29(23,24)13-19(16)30(25,26)18-11-14(2)5-6-17(18)27-3/h5-6,11,15-16,19H,4,7-10,12-13H2,1-3H3/t16-,19-/m0/s1InChIKey
VQJQGJHUHOYHOQ-LPHOPBHVSA-NSynonyms
1175878-27-91175878279
CCOC(=O)C1CCN(CC1)(C@H)1CS(=O)(=O)C(C@@H)1S(=O)(=O)c1cc(C)ccc1OC
CCOC(=O)C1CCN(CC1)C2CS(=O)(=O)CC2S(=O)(=O)C3=C(C=CC(=C3)C)OC
ethyl1((3S4R)4((2methoxy5methylphenyl)sulfonyl)11dioxidotetrahydrothiophen3yl)piperidine4carboxylate
ethyl1((3S4R)4(2methoxy5methylphenyl)sulfonyl11dioxothiolan3yl)piperidine4carboxylate
InChI=1SC20H29NO7S2c142820(22)157921(10815)161229(2324)1319(16)30(2526)181114(2)5617(18)273h5611151619H47101213H213H3t1619m0s1
MFCD18246782
ZINC000019821061
ZINC19821061
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