Vitas-M small molecule compound
(2R)-1-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]-1,2-dimethylpiperidinium
Catalog ID
STL553185
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[N+]1(C)CCCC[C@H]1C)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 C29H46NO3 MW 456.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46NO3/c1-21-11-14-26-28(3,16-9-17-29(26,4)27(31)32-6)24(21)13-12-23-15-19-33-25(23)20-30(5)18-8-7-10-22(30)2/h15,19,22,24,26H,1,7-14,16-18,20H2,2-6H3/q+1/t22-,24+,26?,28-,29+,30?/m1/s1InChIKey
LSPUOZQEYNSVSJ-MPSZAVDZSA-NSynonyms
(2R)1((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)12dimethylpiperidin1iumiodide
(2R)1((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)12dimethylpiperidinium
16398506
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1C(N+)1(C)CCCC(C@H)1C)C(I)
InChI=1SC29H46NO3c12111142628(31691729(264)27(31)326)24(21)13122315193325(23)2030(5)18871022(30)2h1519222426H1714161820H226H3q+1t2224+26?2829+30?m1s1
methyl(1~(S)4~(a)~(R)5~(S))5(2(2(((2~(R))12dimethylpiperidin1ium1yl)methyl)furan3yl)ethyl)14~(a)dimethyl6methylidene345788~(a)hexahydro2~(H)naphthalene1carboxylate
ZINC000253389817
ZINC000253389820
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