Vitas-M small molecule compound

methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-{2-[2-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)furan-3-yl]ethyl}decahydronaphthalene-1-carboxylate

Catalog ID
STL563004
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN(S(=O)(=O)c1ccc(cc1)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 C30H41NO5S MW 527.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO5S/c1-21-8-12-24(13-9-21)37(33,34)31(5)20-26-23(16-19-36-26)11-14-25-22(2)10-15-27-29(25,3)17-7-18-30(27,4)28(32)35-6/h8-9,12-13,16,19,25,27H,2,7,10-11,14-15,17-18,20H2,1,3-6H3/t25-,27?,29+,30-/m0/s1
InChIKey
SLOPQSZJVVHKBM-RHLJUFSTSA-N
Synonyms
957043-73-1
(1S4aR5S)methyl5(2(2((N4dimethylphenylsulfonamido)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16399201
957043731
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CN(S(=O)(=O)c1ccc(cc1)C)C)C
InChI=1SC30H41NO5Sc12181224(13921)37(3334)31(5)202623(16193626)11142522(2)10152729(253)1771830(274)28(32)356h89121316192527H2710111415171820H2136H3t2527?29+30m0s1
methyl(1S4aR5S)14adimethyl6methylidene5(2(2((methyl((4methylphenyl)sulfonyl)amino)methyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
methyl(1S4aR5S)14adimethyl6methylidene5(2(2((methyl(4methylphenyl)sulfonylamino)methyl)furan3yl)ethyl)345788ahexahydro2Hnaphthalene1carboxylate
MFCD32651382
ZINC000012662269
ZINC000012662271

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.