Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-(2-{2-[(benzylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL526157
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCc1ccccc1)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 C29H39NO3 MW 449.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/t24-,26?,28+,29-/m0/s1InChIKey
ZISVYIIZULIHFK-XWBREPIPSA-NSynonyms
1212441-06-9(1S4aR5S)methyl5(2(2((benzylamino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
1212441069
15454452
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CNCc1ccccc1)C
InChI=1SC29H39NO3c12111142628(21681729(263)27(31)324)24(21)13122315183325(23)2030192296571022h579101518242630H18111416171920H224H3t2426?28+29m0s1
methyl(1~(S)4~(a)~(R)5~(S))5(2(2((benzylamino)methyl)furan3yl)ethyl)14~(a)dimethyl6methylidene345788~(a)hexahydro2~(H)naphthalene1carboxylate
methyl(1S4aR5S)5(2(2((benzylamino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD02925521
ZINC000012660256
ZINC000012660257
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