Vitas-M small molecule compound
N-benzyl(3-{2-[(5S)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)-N,N-dimethylmethanaminium
Catalog ID
STL553228
SMILES COC(=O)[C@@]1(C)CCCC2(C1CCC(=C)C2CCc1ccoc1C[N+](Cc1ccccc1)(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 C31H44NO3 MW 478.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44NO3/c1-23-13-16-28-30(2,18-10-19-31(28,3)29(33)34-6)26(23)15-14-25-17-20-35-27(25)22-32(4,5)21-24-11-8-7-9-12-24/h7-9,11-12,17,20,26,28H,1,10,13-16,18-19,21-22H2,2-6H3/q+1/t26?,28?,30?,31-/m0/s1InChIKey
VGITXYOIOWWGEO-XNYYTXMDSA-NSynonyms
16399868
benzyl((3(2((5~(S))5methoxycarbonyl58~(a)dimethyl2methylidene344~(a)678hexahydro1~(H)naphthalen1yl)ethyl)furan2yl)methyl)dimethylazanium
COC(=O)(C@@)1(C)CCCC2(C1CCC(=C)C2CCc1ccoc1C(N+)(Cc1ccccc1)(C)C)C(Cl)
InChI=1SC31H44NO3c12313162830(218101931(283)29(33)346)26(23)15142517203527(25)2232(45)2124118791224h79111217202628H110131618192122H226H3q+1t26?28?30?31m0s1
Nbenzyl(3(2((5S)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)NNdimethylmethanaminium
Nbenzyl1(3(2((5S)5(methoxycarbonyl)58adimethyl2methylenedecahydronaphthalen1yl)ethyl)furan2yl)NNdimethylmethanaminiumchloride
ZINC000008917931
ZINC000230057507
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