Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one hydrochloride
Catalog ID
STL529137
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)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 C26H33F3N2O2 MW 462.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33F3N2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(32)33-23)16-30-9-11-31(12-10-30)19-7-3-6-18(13-19)26(27,28)29/h3,6-7,13-14,17,20-21,23H,4-5,8-12,15-16H2,1-2H3/t17-,20+,21?,23+,25+/m0/s1InChIKey
VLZRPLWEPPNQPC-HZZSDGONSA-NSynonyms
(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)onehydrochloride
16400415
InChI=1SC26H33F3N2O2c11754825(2)152320(1422(17)25)21(24(32)3323)163091131(121030)1973618(1319)26(2728)29h367131417202123H458121516H212H3t1720+21?23+25+m0s1
MFCD32649900
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C=C1(C@)(C2)(C)CCC(C@@H)1CCl
ZINC000059415251
ZINC000061997592
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