Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL527463
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)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 C27H37F3N2O4 MW 510.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37F3N2O4/c1-24-8-5-9-25(2,35-3)26(24,34)15-20-21(23(33)36-22(20)16-24)17-31-10-12-32(13-11-31)19-7-4-6-18(14-19)27(28,29)30/h4,6-7,14,20-22,34H,5,8-13,15-17H2,1-3H3/t20-,21?,22-,24-,25-,26?/m1/s1InChIKey
VTZRNFGNLKRMNG-RCSNVNNZSA-NSynonyms
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))4~(a)hydroxy5methoxy58~(a)dimethyl3((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)4ahydroxy5methoxy58adimethyl3((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)onehydrochloride
16397979
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)CCl
InChI=1SC27H37F3N2O4c12485925(2353)26(2434)152021(23(33)3622(20)1624)1731101232(131131)1974618(1419)27(2829)30h46714202234H58131517H213H3t2021?22242526?m1s1
ZINC000059410302
ZINC000061996973
Check stock
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