Vitas-M small molecule compound
1-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]pyridinium
Catalog ID
STL553212
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[n+]1ccccc1)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 C27H36NO3 MW 422.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36NO3/c1-20-9-12-24-26(2,14-8-15-27(24,3)25(29)30-4)22(20)11-10-21-13-18-31-23(21)19-28-16-6-5-7-17-28/h5-7,13,16-18,22,24H,1,8-12,14-15,19H2,2-4H3/q+1/t22-,24?,26+,27-/m0/s1InChIKey
SYUGLBZIXVZTRT-CJGRIHGTSA-NSynonyms
1((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)pyridin1iumbromide1((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)pyridinium
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1C(n+)1ccccc1)C(Br)
methyl(1~(S)4~(a)~(R)5~(S))14~(a)dimethyl6methylidene5(2(2(pyridin1ium1ylmethyl)furan3yl)ethyl)345788~(a)hexahydro2~(H)naphthalene1carboxylate
Registry IDs
ZINC000004065023ZINC000004065024
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