Vitas-M small molecule compound

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

Catalog ID
STL562429
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1COC(=O)c1ccc(cc1)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 C30H38O5 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38O5/c1-20-7-10-23(11-8-20)27(31)35-19-25-22(15-18-34-25)12-13-24-21(2)9-14-26-29(24,3)16-6-17-30(26,4)28(32)33-5/h7-8,10-11,15,18,24,26H,2,6,9,12-14,16-17,19H2,1,3-5H3/t24-,26?,29+,30-/m0/s1
InChIKey
PIGONDGFOLZMGF-VNRSTCIESA-N
Synonyms
956826-09-8
(1S4aR5S)methyl14adimethyl5(2(2(((4methylbenzoyl)oxy)methyl)furan3yl)ethyl)6methylenedecahydronaphthalene1carboxylate
16397147
956826098
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1COC(=O)c1ccc(cc1)C)C
InChI=1SC30H38O5c12071023(11820)27(31)35192522(15183425)12132421(2)9142629(243)1661730(264)28(32)335h78101115182426H2691214161719H2135H3t2426?29+30m0s1
methyl(1S4aR5S)14adimethyl5(2(2((4methylbenzoyl)oxymethyl)furan3yl)ethyl)6methylidene345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)14adimethyl6methylidene5(2(2((((4methylphenyl)carbonyl)oxy)methyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
MFCD32651255
ZINC000008837119
ZINC000008837120

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Available files

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