Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((3,4-dimethoxyphenethyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562683
SMILES COc1cc(CCNCC2C(=O)O[C@H]3[C@@H]2C=C2[C@@H](C)CCC[C@@]2(C3)C)ccc1OC
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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 C25H35NO4 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12-13,16,18-19,23,26H,5-6,9-11,14-15H2,1-4H3/t16-,18+,19?,23+,25+/m0/s1InChIKey
OGMOAZOYJFBAAJ-OYEGVEMZSA-NSynonyms
956932-15-3(3aR5S8aR9aR)3((2(34dimethoxyphenyl)ethylamino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((34dimethoxyphenethyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16398007
956932153
COc1cc(CCNCC2C(=O)O(C@H)3(C@@H)2C=C2(C@@H)(C)CCC(C@@)2(C3)C)ccc1OC
InChI=1SC25H35NO4c116651025(2)142318(1320(16)25)19(24(27)3023)1526119177821(283)22(1217)294h7812131618192326H569111415H214H3t1618+19?23+25+m0s1
MFCD32651333
ZINC000004041190
ZINC000012661420
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