Vitas-M small molecule compound
ethyl 1-(((2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-8-oxodecahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-9-yl)methyl)piperidine-3-carboxylate oxalate
Catalog ID
STL533845
SMILES CCOC(=O)C1CCCN(C1)CC1C(=O)O[C@H]2[C@@H]1C1OC31[C@](C2)(C)CCC[C@@H]3C
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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 C23H35NO5 MW 405.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO5/c1-4-27-20(25)15-8-6-10-24(12-15)13-16-18-17(28-21(16)26)11-22(3)9-5-7-14(2)23(22)19(18)29-23/h14-19H,4-13H2,1-3H3/t14-,15?,16?,17+,18+,19?,22+,23?/m0/s1InChIKey
NNDFFLFUGPXXIM-ZCXPOMDCSA-NSynonyms
16404110
ethyl1(((2S5aR6aR9S9aR)25adimethyl8oxodecahydro2Hoxireno(2344a)naphtho(23b)furan9yl)methyl)piperidine3carboxylateoxalate
ethyl1(((4~(R)8~(R)10~(R)14~(S))1014dimethyl6oxo27dioxatetracyclo(8400^(13)0^(48))tetradecan5yl)methyl)piperidine3carboxylate
InChI=1SC23H35NO5c142720(25)15861024(1215)13161817(2821(16)26)1122(3)95714(2)23(22)19(18)2923h1419H413H213H3t1415?16?17+18+19?22+23?m0s1
MFCD32649957
OC(=O)C(=O)OCCOC(=O)C1CCCN(C1)CC1C(=O)O(C@H)2(C@@H)1C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000106536847
ZINC000252346972
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