Vitas-M small molecule compound

methyl (1S,4aR,5S)-5-(2-{2-[(dibutylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate

Catalog ID
STL562462
SMILES CCCCN(Cc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC)CCCC

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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 C30H49NO3 MW 471.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H49NO3/c1-7-9-19-31(20-10-8-2)22-26-24(16-21-34-26)13-14-25-23(3)12-15-27-29(25,4)17-11-18-30(27,5)28(32)33-6/h16,21,25,27H,3,7-15,17-20,22H2,1-2,4-6H3/t25-,27?,29+,30-/m0/s1
InChIKey
MMQVMKLJNDUXAA-RHLJUFSTSA-N
Synonyms
956826-13-4
(1S4aR5S)methyl5(2(2((dibutylamino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16397157
956826134
CCCCN(Cc1occc1CC(C@H)1C(=C)CCC2(C@)1(C)CCC(C@)2(C)C(=O)OC)CCCC
InChI=1SC30H49NO3c1791931(201082)222624(16213426)13142523(3)12152729(254)17111830(275)28(32)336h16212527H3715172022H21246H3t2527?29+30m0s1
methyl(1S4aR5S)5(2(2((dibutylamino)methyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)5(2(2((dibutylamino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD32651266
ZINC000008763193
ZINC000009046672

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Available files

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