Vitas-M small molecule compound
(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)-N,N-dimethylmethanaminium
Catalog ID
STL553200
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[NH+](C)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 C24H38NO3 MW 388.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H37NO3/c1-17-8-11-21-23(2,13-7-14-24(21,3)22(26)27-6)19(17)10-9-18-12-15-28-20(18)16-25(4)5/h12,15,19,21H,1,7-11,13-14,16H2,2-6H3/p+1/t19-,21?,23+,24-/m0/s1InChIKey
WCLKYLGRZRHNEF-PBBOVNIRSA-OSynonyms
(3(2((1~(S)5~(S)8~(a)~(R))5methoxycarbonyl58~(a)dimethyl2methylidene344~(a)678hexahydro1~(H)naphthalen1yl)ethyl)furan2yl)methyldimethylazanium
(3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)NNdimethylmethanaminium
135640898
InChI=1SC24H37NO3c1178112123(21371424(213)22(26)276)19(17)1091812152820(18)1625(4)5h12151921H1711131416H226H3p+1t1921?23+24m0s1
ZINC000004044543
ZINC000004044544
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