Vitas-M small molecule compound
methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-{2-[2-(pyrrolidin-1-ylmethyl)furan-3-yl]ethyl}decahydronaphthalene-1-carboxylate
Catalog ID
STL562738
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN1CCCC1)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 C26H39NO3 MW 413.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO3/c1-19-8-11-23-25(2,13-7-14-26(23,3)24(28)29-4)21(19)10-9-20-12-17-30-22(20)18-27-15-5-6-16-27/h12,17,21,23H,1,5-11,13-16,18H2,2-4H3/t21-,23?,25+,26-/m0/s1InChIKey
UNUUCKOLQOHQFO-RFUSGTGQSA-NSynonyms
956946-48-8(1S4aR5S)methyl14adimethyl6methylene5(2(2(pyrrolidin1ylmethyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
16398317
956946488
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CN1CCCC1)C
InChI=1SC26H39NO3c1198112325(21371426(233)24(28)294)21(19)1092012173022(20)182715561627h12172123H1511131618H224H3t2123?25+26m0s1
methyl(1S4aR5S)14adimethyl6methylidene5(2(2(pyrrolidin1ylmethyl)furan3yl)ethyl)345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)14adimethyl6methylidene5(2(2(pyrrolidin1ylmethyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
MFCD32651350
ZINC000004043667
ZINC000004043670
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