Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-4a-hydroxy-5-methoxy-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527593
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1ccccc1F)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 C26H37FN2O4 MW 460.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37FN2O4/c1-24-9-6-10-25(2,32-3)26(24,31)15-18-19(23(30)33-22(18)16-24)17-28-11-13-29(14-12-28)21-8-5-4-7-20(21)27/h4-5,7-8,18-19,22,31H,6,9-17H2,1-3H3/t18-,19?,22-,24-,25-,26?/m1/s1InChIKey
ZYQCHTPYTIDECE-UGSMEHDXSA-NSynonyms
956932-26-6(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((4(2fluorophenyl)piperazin1yl)methyl)4~(a)hydroxy5methoxy58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)3((4(2fluorophenyl)piperazin1yl)methyl)4ahydroxy5methoxy58adimethyldecahydronaphtho(23b)furan2(3H)one
16398067
956932266
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CN1CCN(CC1)c1ccccc1F)C
InChI=1SC26H37FN2O4c124961025(2323)26(2431)151819(23(30)3322(18)1624)1728111329(141228)21854720(21)27h457818192231H6917H213H3t1819?22242526?m1s1
ZINC000059410346
ZINC000061996982
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