Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((furan-2-ylmethyl)((tetrahydrofuran-2-yl)methyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL532144
SMILES O=C1O[C@H]2[C@@H](C1CN(Cc1ccco1)CC1CCCO1)C=C1[C@](C2)(C)CCC[C@@H]1C
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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/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/t17-,19?,20+,21?,23+,25+/m0/s1InChIKey
YSZZLAPSDPZFFH-LJSSWGNCSA-NSynonyms
956967-80-9(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((furan2ylmethyl(oxolan2ylmethyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((furan2ylmethyl)((tetrahydrofuran2yl)methyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16404712
956967809
InChI=1SC25H35NO4c11763925(2)132320(1222(17)25)21(24(27)3023)1626(141874102818)151985112919h47101217192123H35689111316H212H3t1719?20+21?23+25+m0s1
MFCD32649937
O=C1O(C@H)2(C@@H)(C1CN(Cc1ccco1)CC1CCCO1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004085625
ZINC000252695361
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